4,4-dimethyltridecan-1-amine

C15H33N — CID 172686024

IUPAC4,4-dimethyltridecan-1-amine
SMILESCCCCCCCCCC(C)(C)CCCN
InChIInChI=1S/C15H33N/c1-4-5-6-7-8-9-10-12-15(2,3)13-11-14-16/h4-14,16H2,1-3H3
InChIKeyBAXDNNDUFSZMHK-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.89
Rot. Bonds11

About 4,4-dimethyltridecan-1-amine

4,4-dimethyltridecan-1-amine (PubChem CID 172686024) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 4,4-dimethyltridecan-1-amine.

Molecular Properties

Compound Name4,4-dimethyltridecan-1-amine
PubChem CID172686024
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name4,4-dimethyltridecan-1-amine
SMILESCCCCCCCCCC(C)(C)CCCN
InChIInChI=1S/C15H33N/c1-4-5-6-7-8-9-10-12-15(2,3)13-11-14-16/h4-14,16H2,1-3H3
InChIKeyBAXDNNDUFSZMHK-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.89
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

3,3-dimethylpentadecan-1-amine
CID 81014127
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethyloctan-1-amine
CID 62739423
4-pentadecylheptane-1,4,7-triamine
CID 156536321
15,15-dimethylnonacosan-10-amine
CID 175397632
4,4-dipentylnonan-1-amine
CID 88632324
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
calcium;hexan-1-amine;difluoride
CID 160795934
7,7-dimethyldocosan-1-ol
CID 150860437
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyltridecan-1-amine?
The IUPAC name of 4,4-dimethyltridecan-1-amine (CID 172686024) is 4,4-dimethyltridecan-1-amine.
What is the SMILES notation for 4,4-dimethyltridecan-1-amine?
The canonical SMILES for 4,4-dimethyltridecan-1-amine is CCCCCCCCCC(C)(C)CCCN.
What is the InChIKey of 4,4-dimethyltridecan-1-amine?
The InChIKey is BAXDNNDUFSZMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-4-5-6-7-8-9-10-12-15(2,3)13-11-14-16/h4-14,16H2,1-3H3.
What are the key properties of 4,4-dimethyltridecan-1-amine?
4,4-dimethyltridecan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyltridecan-1-amine is sourced from PubChem (CID 172686024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).