N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine

C21H43N — CID 166852744

IUPACN,6,6,10,10,14-hexamethylpentadec-14-en-1-amine
SMILESC=C(C)CCCC(C)(C)CCCC(C)(C)CCCCCNC
InChIInChI=1S/C21H43N/c1-19(2)13-11-15-21(5,6)17-12-16-20(3,4)14-9-8-10-18-22-7/h22H,1,8-18H2,2-7H3
InChIKeyNYYWRNKFNPDWFF-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.74
Rot. Bonds14

About N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine

N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine (PubChem CID 166852744) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine.

Molecular Properties

Compound NameN,6,6,10,10,14-hexamethylpentadec-14-en-1-amine
PubChem CID166852744
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC NameN,6,6,10,10,14-hexamethylpentadec-14-en-1-amine
SMILESC=C(C)CCCC(C)(C)CCCC(C)(C)CCCCCNC
InChIInChI=1S/C21H43N/c1-19(2)13-11-15-21(5,6)17-12-16-20(3,4)14-9-8-10-18-22-7/h22H,1,8-18H2,2-7H3
InChIKeyNYYWRNKFNPDWFF-UHFFFAOYSA-N
XLogP6.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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CID 118650446
2,10-dimethylundec-10-en-2-ol
CID 170848213
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CID 81023086
N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
N,3-dimethylbut-3-en-1-amine;hydrochloride
CID 155386259
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5,5,8,8-tetramethyl-12-(methylamino)dodecanamide
CID 143545425
2,14-dimethylpentadeca-1,14-diene
CID 123962057
1-N-methylhept-6-ene-1,6-diamine
CID 142387852
N-(6-methylhept-6-enyl)cyclopropanamine
CID 114477275
12-methoxy-N-methyltridec-12-en-1-amine
CID 145295234
5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine
CID 170108360

Frequently Asked Questions

What is the IUPAC name of N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine?
The IUPAC name of N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine (CID 166852744) is N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine.
What is the SMILES notation for N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine?
The canonical SMILES for N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine is C=C(C)CCCC(C)(C)CCCC(C)(C)CCCCCNC.
What is the InChIKey of N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine?
The InChIKey is NYYWRNKFNPDWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-19(2)13-11-15-21(5,6)17-12-16-20(3,4)14-9-8-10-18-22-7/h22H,1,8-18H2,2-7H3.
What are the key properties of N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine?
N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine has a molecular weight of 309.58 g/mol, XLogP of 6.74, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine is sourced from PubChem (CID 166852744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).