N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine

C20H42N2 — CID 91264150

IUPACN'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine
SMILESCC(C=CCC(C)(C)CC(C)(C)C)CC(C)(C)NCCCN
InChIInChI=1S/C20H42N2/c1-17(15-20(7,8)22-14-10-13-21)11-9-12-19(5,6)16-18(2,3)4/h9,11,17,22H,10,12-16,21H2,1-8H3
InChIKeySWLRPGFTCATPQK-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.14
Rot. Bonds10

About N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine

N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine (PubChem CID 91264150) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine
PubChem CID91264150
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC NameN'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine
SMILESCC(C=CCC(C)(C)CC(C)(C)C)CC(C)(C)NCCCN
InChIInChI=1S/C20H42N2/c1-17(15-20(7,8)22-14-10-13-21)11-9-12-19(5,6)16-18(2,3)4/h9,11,17,22H,10,12-16,21H2,1-8H3
InChIKeySWLRPGFTCATPQK-UHFFFAOYSA-N
XLogP5.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5,5-dimethyl-2-hexenyl)-1,1,3,3-tetramethylbutylamine
CID 129658205
(e)-N-(2,4,4-trimethylpent-2-yl)undec-2-en-1-amine
CID 146018475
N-hexyl-2-methyldec-4-en-2-amine
CID 53708331
2,2,12-Triethyltetradeca-4,8-diene-1,11-diamine
CID 54170456
N'-(2-ethylhexyl)octadec-9-ene-1,18-diamine
CID 56617191
N-tert-butyl-6-[(tert-butylamino)methyl]cyclohex-3-en-1-amine
CID 57579960
(E)-N-hexyl-2-methyldec-4-en-2-amine
CID 88427933
(Z)-1-N-(3-aminopropyl)-4-ethenyldocos-13-ene-1,3-diamine
CID 88672565
5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine
CID 88934309
4-N-[4-(3-aminopropylamino)butyl]-2-N,2-N,2-trimethyl-3,3,4-tris(prop-2-enyl)hept-6-ene-2,4-diamine
CID 88965156
4-methyl-4-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)pentane-1,4-diamine
CID 89131267
5-methyl-5-N-[(Z)-5-methylhept-2-enyl]-1-N-(3-methylpentan-3-yl)heptane-1,5-diamine
CID 89131268

Frequently Asked Questions

What is the IUPAC name of N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine (CID 91264150) is N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine is CC(C=CCC(C)(C)CC(C)(C)C)CC(C)(C)NCCCN.
What is the InChIKey of N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine?
The InChIKey is SWLRPGFTCATPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-17(15-20(7,8)22-14-10-13-21)11-9-12-19(5,6)16-18(2,3)4/h9,11,17,22H,10,12-16,21H2,1-8H3.
What are the key properties of N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine?
N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine has a molecular weight of 310.57 g/mol, XLogP of 5.14, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine is sourced from PubChem (CID 91264150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).