11,12-dimethylheptacosan-11-amine

C29H61N — CID 174255229

IUPAC11,12-dimethylheptacosan-11-amine
SMILESCCCCCCCCCCCCCCCC(C)C(C)(N)CCCCCCCCCC
InChIInChI=1S/C29H61N/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28(3)29(4,30)27-25-23-21-14-12-10-8-6-2/h28H,5-27,30H2,1-4H3
InChIKeyJYTMGQQQQONBKO-UHFFFAOYSA-N
MW423.81 g/mol
LogP10.35
Rot. Bonds24

About 11,12-dimethylheptacosan-11-amine

11,12-dimethylheptacosan-11-amine (PubChem CID 174255229) has the molecular formula C29H61N and a molecular weight of 423.81 g/mol. Its IUPAC name is 11,12-dimethylheptacosan-11-amine.

Molecular Properties

Compound Name11,12-dimethylheptacosan-11-amine
PubChem CID174255229
Molecular FormulaC29H61N
Molecular Weight423.81 g/mol
Exact Mass423.48
IUPAC Name11,12-dimethylheptacosan-11-amine
SMILESCCCCCCCCCCCCCCCC(C)C(C)(N)CCCCCCCCCC
InChIInChI=1S/C29H61N/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28(3)29(4,30)27-25-23-21-14-12-10-8-6-2/h28H,5-27,30H2,1-4H3
InChIKeyJYTMGQQQQONBKO-UHFFFAOYSA-N
XLogP10.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.81
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3,4-dimethylhenicosan-1-ol;hydrobromide
CID 175455165
3-amino-2,3-dimethylhenicosan-1-ol
CID 87131556
2,3-dimethylhexadecan-2-amine
CID 87479269
3-methylheptadecane-2,2-diamine
CID 141040528
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
2-amino-3-methylheptadecan-2-ol
CID 88695872
2,2,3-trimethylundecane
CID 21285055
3-ethyl-4-methylicosan-3-amine
CID 88992847
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
12-heptyl-11-hexyl-2,3,3,4,11,12-hexamethylnonadecane
CID 91509924

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethylheptacosan-11-amine?
The IUPAC name of 11,12-dimethylheptacosan-11-amine (CID 174255229) is 11,12-dimethylheptacosan-11-amine.
What is the SMILES notation for 11,12-dimethylheptacosan-11-amine?
The canonical SMILES for 11,12-dimethylheptacosan-11-amine is CCCCCCCCCCCCCCCC(C)C(C)(N)CCCCCCCCCC.
What is the InChIKey of 11,12-dimethylheptacosan-11-amine?
The InChIKey is JYTMGQQQQONBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61N/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28(3)29(4,30)27-25-23-21-14-12-10-8-6-2/h28H,5-27,30H2,1-4H3.
What are the key properties of 11,12-dimethylheptacosan-11-amine?
11,12-dimethylheptacosan-11-amine has a molecular weight of 423.81 g/mol, XLogP of 10.35, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethylheptacosan-11-amine is sourced from PubChem (CID 174255229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).