N-hexadecyl-N-methylicosan-1-amine

C37H77N — CID 21242596

IUPACN-hexadecyl-N-methylicosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-38(3)36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3
InChIKeyBHWHUHNOYPPYHX-UHFFFAOYSA-N
MW536.03 g/mol
LogP13.44
Rot. Bonds34

About N-hexadecyl-N-methylicosan-1-amine

N-hexadecyl-N-methylicosan-1-amine (PubChem CID 21242596) has the molecular formula C37H77N and a molecular weight of 536.03 g/mol. Its IUPAC name is N-hexadecyl-N-methylicosan-1-amine.

Molecular Properties

Compound NameN-hexadecyl-N-methylicosan-1-amine
PubChem CID21242596
Molecular FormulaC37H77N
Molecular Weight536.03 g/mol
Exact Mass535.61
IUPAC NameN-hexadecyl-N-methylicosan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-38(3)36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3
InChIKeyBHWHUHNOYPPYHX-UHFFFAOYSA-N
XLogP13.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.03
LogP ≤ 513.44
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-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-methyl-N-propyldecan-1-amine
CID 13122225
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-N-methylicosan-1-amine?
The IUPAC name of N-hexadecyl-N-methylicosan-1-amine (CID 21242596) is N-hexadecyl-N-methylicosan-1-amine.
What is the SMILES notation for N-hexadecyl-N-methylicosan-1-amine?
The canonical SMILES for N-hexadecyl-N-methylicosan-1-amine is CCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCC.
What is the InChIKey of N-hexadecyl-N-methylicosan-1-amine?
The InChIKey is BHWHUHNOYPPYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-38(3)36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3.
What are the key properties of N-hexadecyl-N-methylicosan-1-amine?
N-hexadecyl-N-methylicosan-1-amine has a molecular weight of 536.03 g/mol, XLogP of 13.44, 34 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-N-methylicosan-1-amine is sourced from PubChem (CID 21242596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).