N,N-ditert-butylhexadecan-1-amine

C24H51N — CID 138920579

IUPACN,N-ditert-butylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H51N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(23(2,3)4)24(5,6)7/h8-22H2,1-7H3
InChIKeyHXXHDUNSUMXCNM-UHFFFAOYSA-N
MW353.68 g/mol
LogP8.37
Rot. Bonds15

About N,N-ditert-butylhexadecan-1-amine

N,N-ditert-butylhexadecan-1-amine (PubChem CID 138920579) has the molecular formula C24H51N and a molecular weight of 353.68 g/mol. Its IUPAC name is N,N-ditert-butylhexadecan-1-amine.

Molecular Properties

Compound NameN,N-ditert-butylhexadecan-1-amine
PubChem CID138920579
Molecular FormulaC24H51N
Molecular Weight353.68 g/mol
Exact Mass353.40
IUPAC NameN,N-ditert-butylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H51N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(23(2,3)4)24(5,6)7/h8-22H2,1-7H3
InChIKeyHXXHDUNSUMXCNM-UHFFFAOYSA-N
XLogP8.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.68
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-ditert-butylhexadecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol
CID 87538743
2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
CID 139723690
N,N-bis(2-methyldecan-2-yl)dodecan-1-amine
CID 139723612
N,N-bis(2-methyldecan-2-yl)tridecan-1-amine
CID 139723232
N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine
CID 139723897
2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine
CID 139723201
N-hexyl-2-methyl-N-(2-methylheptadecan-2-yl)heptadecan-2-amine
CID 139723065
N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
CID 139724071
2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
CID 139723389
N-dodecyl-2-methyl-N-(2-methylhexadecan-2-yl)hexadecan-2-amine
CID 139723367
N-tert-butyl-N-hexadecylhexadecan-1-amine;hydrochloride
CID 173228720
N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine
CID 139722679

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butylhexadecan-1-amine?
The IUPAC name of N,N-ditert-butylhexadecan-1-amine (CID 138920579) is N,N-ditert-butylhexadecan-1-amine.
What is the SMILES notation for N,N-ditert-butylhexadecan-1-amine?
The canonical SMILES for N,N-ditert-butylhexadecan-1-amine is CCCCCCCCCCCCCCCCN(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butylhexadecan-1-amine?
The InChIKey is HXXHDUNSUMXCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(23(2,3)4)24(5,6)7/h8-22H2,1-7H3.
What are the key properties of N,N-ditert-butylhexadecan-1-amine?
N,N-ditert-butylhexadecan-1-amine has a molecular weight of 353.68 g/mol, XLogP of 8.37, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butylhexadecan-1-amine is sourced from PubChem (CID 138920579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).