N,N-diethyl-15-methylhexadecan-1-amine

C21H45N — CID 139723585

IUPACN,N-diethyl-15-methylhexadecan-1-amine
SMILESCCN(CC)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C21H45N/c1-5-22(6-2)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(3)4/h21H,5-20H2,1-4H3
InChIKeyVHXYVSCSILNKLZ-UHFFFAOYSA-N
MW311.60 g/mol
LogP7.06
Rot. Bonds17

About N,N-diethyl-15-methylhexadecan-1-amine

N,N-diethyl-15-methylhexadecan-1-amine (PubChem CID 139723585) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is N,N-diethyl-15-methylhexadecan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-15-methylhexadecan-1-amine
PubChem CID139723585
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC NameN,N-diethyl-15-methylhexadecan-1-amine
SMILESCCN(CC)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C21H45N/c1-5-22(6-2)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(3)4/h21H,5-20H2,1-4H3
InChIKeyVHXYVSCSILNKLZ-UHFFFAOYSA-N
XLogP7.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine
CID 88608998
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine
CID 138647215
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-15-methylhexadecan-1-amine?
The IUPAC name of N,N-diethyl-15-methylhexadecan-1-amine (CID 139723585) is N,N-diethyl-15-methylhexadecan-1-amine.
What is the SMILES notation for N,N-diethyl-15-methylhexadecan-1-amine?
The canonical SMILES for N,N-diethyl-15-methylhexadecan-1-amine is CCN(CC)CCCCCCCCCCCCCCC(C)C.
What is the InChIKey of N,N-diethyl-15-methylhexadecan-1-amine?
The InChIKey is VHXYVSCSILNKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-5-22(6-2)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21(3)4/h21H,5-20H2,1-4H3.
What are the key properties of N,N-diethyl-15-methylhexadecan-1-amine?
N,N-diethyl-15-methylhexadecan-1-amine has a molecular weight of 311.60 g/mol, XLogP of 7.06, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-15-methylhexadecan-1-amine is sourced from PubChem (CID 139723585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).