1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine

C25H48N2 — CID 156741347

IUPAC1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine
SMILESC=C/C=C(C)\C=C/CNC(C)N(CC)CCC(C)CC(CC)(CC)C(C)C
InChIInChI=1S/C25H48N2/c1-10-15-22(7)16-14-18-26-24(9)27(13-4)19-17-23(8)20-25(11-2,12-3)21(5)6/h10,14-16,21,23-24,26H,1,11-13,17-20H2,2-9H3/b16-14-,22-15-
InChIKeySUVRQEMSLBGOFA-CLXIBKRSSA-N
MW376.67 g/mol
LogP6.81
Rot. Bonds15

About 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine

1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine (PubChem CID 156741347) has the molecular formula C25H48N2 and a molecular weight of 376.67 g/mol. Its IUPAC name is 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine
PubChem CID156741347
Molecular FormulaC25H48N2
Molecular Weight376.67 g/mol
Exact Mass376.38
IUPAC Name1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine
SMILESC=C/C=C(C)\C=C/CNC(C)N(CC)CCC(C)CC(CC)(CC)C(C)C
InChIInChI=1S/C25H48N2/c1-10-15-22(7)16-14-18-26-24(9)27(13-4)19-17-23(8)20-25(11-2,12-3)21(5)6/h10,14-16,21,23-24,26H,1,11-13,17-20H2,2-9H3/b16-14-,22-15-
InChIKeySUVRQEMSLBGOFA-CLXIBKRSSA-N
XLogP6.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine with MolForge

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Related Compounds

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CID 130371881
(2S)-1-N-[(3E,5Z,9Z)-2-hex-5-en-2-yl-4,8-dimethyldodeca-3,5,9-trienyl]-1-N',1-N',5-N,2-tetramethylpentane-1,1,5-triamine
CID 134270335
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1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine;ethane
CID 156741346
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N',N'-diethyl-N-(2-ethylbutyl)methanediamine;3,5-diethylheptane;3,4-diethylhex-3-ene;3,3-diethylpentane;N,N,2-triethylbutan-1-amine;N,N,2-triethylpent-2-en-1-amine
CID 167591146

Frequently Asked Questions

What is the IUPAC name of 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine (CID 156741347) is 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine is C=C/C=C(C)\C=C/CNC(C)N(CC)CCC(C)CC(CC)(CC)C(C)C.
What is the InChIKey of 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine?
The InChIKey is SUVRQEMSLBGOFA-CLXIBKRSSA-N. The full InChI is InChI=1S/C25H48N2/c1-10-15-22(7)16-14-18-26-24(9)27(13-4)19-17-23(8)20-25(11-2,12-3)21(5)6/h10,14-16,21,23-24,26H,1,11-13,17-20H2,2-9H3/b16-14-,22-15-.
What are the key properties of 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine?
1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine has a molecular weight of 376.67 g/mol, XLogP of 6.81, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(5,5-diethyl-3,6-dimethylheptyl)-1-N'-ethyl-1-N-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]ethane-1,1-diamine is sourced from PubChem (CID 156741347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).