(E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine

C21H43N — CID 170289549

IUPAC(E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine
SMILESCC(C)(C)C/C=C/C(C)(C)CCC(C)(C)CNCC(C)(C)C
InChIInChI=1S/C21H43N/c1-18(2,3)12-11-13-20(7,8)14-15-21(9,10)17-22-16-19(4,5)6/h11,13,22H,12,14-17H2,1-10H3/b13-11+
InChIKeyUVPFLQNMIIQMRV-ACCUITESSA-N
MW309.58 g/mol
LogP6.45
Rot. Bonds8

About (E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine

(E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine (PubChem CID 170289549) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is (E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine
PubChem CID170289549
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name(E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine
SMILESCC(C)(C)C/C=C/C(C)(C)CCC(C)(C)CNCC(C)(C)C
InChIInChI=1S/C21H43N/c1-18(2,3)12-11-13-20(7,8)14-15-21(9,10)17-22-16-19(4,5)6/h11,13,22H,12,14-17H2,1-10H3/b13-11+
InChIKeyUVPFLQNMIIQMRV-ACCUITESSA-N
XLogP6.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 167385062
(Z)-N-(2,2-dimethylpropyl)hex-3-en-1-amine
CID 89382134
N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen
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N'-[2-(2,2-dimethylpropylamino)ethyl]-N',2,2-trimethyl-N-[2-(methylamino)ethyl]butane-1,4-diamine
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N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
CID 61168461
N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine
CID 115204534
N-(2,2-dimethylbutyl)-2,2-dimethylpentan-1-amine
CID 88877913
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
(4Z,7Z)-2,2,10,10-tetramethylundeca-4,7-diene
CID 176844045
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
3,3-dimethyl-4-(prop-2-enylamino)butan-1-ol
CID 106146633
N-[3-(2,2-dimethylpropylamino)-2,2-dimethylpropyl]-2,2-dimethylpropanamide
CID 146550774

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine?
The IUPAC name of (E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine (CID 170289549) is (E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine.
What is the SMILES notation for (E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine?
The canonical SMILES for (E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine is CC(C)(C)C/C=C/C(C)(C)CCC(C)(C)CNCC(C)(C)C.
What is the InChIKey of (E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine?
The InChIKey is UVPFLQNMIIQMRV-ACCUITESSA-N. The full InChI is InChI=1S/C21H43N/c1-18(2,3)12-11-13-20(7,8)14-15-21(9,10)17-22-16-19(4,5)6/h11,13,22H,12,14-17H2,1-10H3/b13-11+.
What are the key properties of (E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine?
(E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine has a molecular weight of 309.58 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine is sourced from PubChem (CID 170289549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).