(Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine

C15H28N2 — CID 146182677

IUPAC(Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine
SMILESC=C/C=C(C)\C(=C/N(C)C(C)C)CCN(C)C
InChIInChI=1S/C15H28N2/c1-8-9-14(4)15(10-11-16(5)6)12-17(7)13(2)3/h8-9,12-13H,1,10-11H2,2-7H3/b14-9-,15-12-
InChIKeyFMZXUZAESBRULQ-KCYOALMLSA-N
MW236.40 g/mol
LogP3.29
Rot. Bonds7

About (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine

(Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine (PubChem CID 146182677) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine
PubChem CID146182677
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine
SMILESC=C/C=C(C)\C(=C/N(C)C(C)C)CCN(C)C
InChIInChI=1S/C15H28N2/c1-8-9-14(4)15(10-11-16(5)6)12-17(7)13(2)3/h8-9,12-13H,1,10-11H2,2-7H3/b14-9-,15-12-
InChIKeyFMZXUZAESBRULQ-KCYOALMLSA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine with MolForge

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Related Compounds

ethane;(E)-N,N,5-trimethyl-3-prop-1-en-2-ylhex-3-en-1-amine
CID 163291135
(5Z,6Z)-6-ethyl-5-ethylidene-N,N-dimethylnona-6,8-dien-1-amine
CID 139492686
buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
CID 160608362
(2E)-N-[(3E)-5-[2-(dimethylamino)ethyl]-6-methylhepta-1,3,5-trien-3-yl]penta-2,4-diene-2-sulfonamide
CID 130473696
N'-ethenyl-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143238901
(1E)-N-methyl-N-propan-2-yl-2-(trifluoromethyl)buta-1,3-dien-1-amine;propane
CID 156717514
ethane;N-ethenyl-N-methylpropan-2-amine
CID 145207975
CID 173495627
CID 173495627
N',N'-dimethyl-N-(3-methylbut-3-en-2-yl)propane-1,3-diamine
CID 126690242
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
4-methyldeca-1,3-diene-5,6-dione
CID 91542412
(3Z)-3-ethenyl-N-methyl-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 143512259

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine?
The IUPAC name of (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine (CID 146182677) is (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine.
What is the SMILES notation for (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine?
The canonical SMILES for (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine is C=C/C=C(C)\C(=C/N(C)C(C)C)CCN(C)C.
What is the InChIKey of (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine?
The InChIKey is FMZXUZAESBRULQ-KCYOALMLSA-N. The full InChI is InChI=1S/C15H28N2/c1-8-9-14(4)15(10-11-16(5)6)12-17(7)13(2)3/h8-9,12-13H,1,10-11H2,2-7H3/b14-9-,15-12-.
What are the key properties of (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine?
(Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine has a molecular weight of 236.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N',N'-trimethyl-2-[(2Z)-penta-2,4-dien-2-yl]-N-propan-2-ylbut-1-ene-1,4-diamine is sourced from PubChem (CID 146182677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).