(2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine

C19H35N3 — CID 138642665

IUPAC(2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine
SMILESC=C(/C=C(\CN(C)C)N=C(C)C)/C(=C/C)N(CCC)CCC
InChIInChI=1S/C19H35N3/c1-9-12-22(13-10-2)19(11-3)17(6)14-18(15-21(7)8)20-16(4)5/h11,14H,6,9-10,12-13,15H2,1-5,7-8H3/b18-14-,19-11-
InChIKeyVQUIWRSWNYHCBR-WCOXTVFRSA-N
MW305.51 g/mol
LogP4.49
Rot. Bonds10

About (2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine

(2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine (PubChem CID 138642665) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is (2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine.

Molecular Properties

Compound Name(2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine
PubChem CID138642665
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name(2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine
SMILESC=C(/C=C(\CN(C)C)N=C(C)C)/C(=C/C)N(CCC)CCC
InChIInChI=1S/C19H35N3/c1-9-12-22(13-10-2)19(11-3)17(6)14-18(15-21(7)8)20-16(4)5/h11,14H,6,9-10,12-13,15H2,1-5,7-8H3/b18-14-,19-11-
InChIKeyVQUIWRSWNYHCBR-WCOXTVFRSA-N
XLogP4.49
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 123195700
N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
CID 123335275
(E)-N,N,3-trimethyl-4-[(2Z)-4-methylpenta-2,4-dien-2-yl]imino-2-[(Z)-prop-1-enyl]pent-2-en-1-amine
CID 126636351
N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 139516197
(2Z)-2-(ethylideneamino)-N,N,4-trimethylpenta-2,4-dien-1-amine
CID 142082929
ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378415
ethane;2-methyl-6,7-dihydroquinoline;N,N,N',N'-tetramethylethane-1,2-diamine
CID 144213736
N'-[(3Z)-4,5-dimethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine;propane
CID 155721804
(E)-N-methyl-5-methylidene-3-(4-methylpiperazin-1-yl)hept-3-en-2-imine
CID 156424187
N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]ethanimine
CID 169924314
(E)-N-but-1-en-2-yl-2-methyl-4-methylimino-N-propylpent-2-en-1-amine
CID 172384697
N'-(cyclooctatetraenylmethyl)-N-methyl-N'-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]ethane-1,2-diamine;methane
CID 172578829

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine?
The IUPAC name of (2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine (CID 138642665) is (2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine.
What is the SMILES notation for (2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine?
The canonical SMILES for (2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine is C=C(/C=C(\CN(C)C)N=C(C)C)/C(=C/C)N(CCC)CCC.
What is the InChIKey of (2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine?
The InChIKey is VQUIWRSWNYHCBR-WCOXTVFRSA-N. The full InChI is InChI=1S/C19H35N3/c1-9-12-22(13-10-2)19(11-3)17(6)14-18(15-21(7)8)20-16(4)5/h11,14H,6,9-10,12-13,15H2,1-5,7-8H3/b18-14-,19-11-.
What are the key properties of (2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine?
(2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine has a molecular weight of 305.51 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine is sourced from PubChem (CID 138642665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).