(3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine

C23H36N2 — CID 143721814

IUPAC(3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine
SMILESC=C(NCC1(CC)CCCC1)C(/N=C(\C)C1CC1)=C(C)\C=C/C=C\C
InChIInChI=1S/C23H36N2/c1-6-8-9-12-18(3)22(25-19(4)21-13-14-21)20(5)24-17-23(7-2)15-10-11-16-23/h6,8-9,12,21,24H,5,7,10-11,13-17H2,1-4H3/b8-6-,12-9-,22-18+,25-19+
InChIKeyWRKMSLNFZDIWRW-RPPBQCTRSA-N
MW340.56 g/mol
LogP6.34
Rot. Bonds9

About (3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine

(3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine (PubChem CID 143721814) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is (3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine.

Molecular Properties

Compound Name(3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine
PubChem CID143721814
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name(3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine
SMILESC=C(NCC1(CC)CCCC1)C(/N=C(\C)C1CC1)=C(C)\C=C/C=C\C
InChIInChI=1S/C23H36N2/c1-6-8-9-12-18(3)22(25-19(4)21-13-14-21)20(5)24-17-23(7-2)15-10-11-16-23/h6,8-9,12,21,24H,5,7,10-11,13-17H2,1-4H3/b8-6-,12-9-,22-18+,25-19+
InChIKeyWRKMSLNFZDIWRW-RPPBQCTRSA-N
XLogP6.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z,6Z)-N-[[1-(aminomethyl)cyclohexyl]methyl]-2,3-dimethylocta-2,4,6-trienamide
CID 143721778
[(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane
CID 178103964
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 103810881
1-(1-ethylcyclohexyl)-N-methylmethanamine;formaldehyde
CID 143085262
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119782141
(2S)-N-[(1-ethylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 103797869
acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one
CID 143490396
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
4-[(1-ethylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114101646
cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173120
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 109470732
1-ethyl-3-[(1-ethylcyclopentyl)methyl]-1-methylurea
CID 103767932

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine?
The IUPAC name of (3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine (CID 143721814) is (3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine.
What is the SMILES notation for (3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine?
The canonical SMILES for (3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine is C=C(NCC1(CC)CCCC1)C(/N=C(\C)C1CC1)=C(C)\C=C/C=C\C.
What is the InChIKey of (3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine?
The InChIKey is WRKMSLNFZDIWRW-RPPBQCTRSA-N. The full InChI is InChI=1S/C23H36N2/c1-6-8-9-12-18(3)22(25-19(4)21-13-14-21)20(5)24-17-23(7-2)15-10-11-16-23/h6,8-9,12,21,24H,5,7,10-11,13-17H2,1-4H3/b8-6-,12-9-,22-18+,25-19+.
What are the key properties of (3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine?
(3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine has a molecular weight of 340.56 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7Z)-3-(1-cyclopropylethylideneamino)-N-[(1-ethylcyclopentyl)methyl]-4-methylnona-1,3,5,7-tetraen-2-amine is sourced from PubChem (CID 143721814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).