N-butyl-N-methyldodecan-1-amine;hydrochloride

C17H38ClN — CID 86105258

IUPACN-butyl-N-methyldodecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCN(C)CCCC.Cl
InChIInChI=1S/C17H37N.ClH/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2;/h4-17H2,1-3H3;1H
InChIKeyLZHPKTHJWAXNHV-UHFFFAOYSA-N
MW291.95 g/mol
LogP6.06
Rot. Bonds14

About N-butyl-N-methyldodecan-1-amine;hydrochloride

N-butyl-N-methyldodecan-1-amine;hydrochloride (PubChem CID 86105258) has the molecular formula C17H38ClN and a molecular weight of 291.95 g/mol. Its IUPAC name is N-butyl-N-methyldodecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-methyldodecan-1-amine;hydrochloride
PubChem CID86105258
Molecular FormulaC17H38ClN
Molecular Weight291.95 g/mol
Exact Mass291.27
IUPAC NameN-butyl-N-methyldodecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCN(C)CCCC.Cl
InChIInChI=1S/C17H37N.ClH/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2;/h4-17H2,1-3H3;1H
InChIKeyLZHPKTHJWAXNHV-UHFFFAOYSA-N
XLogP6.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.95
LogP ≤ 56.06
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-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-butyl-N-methylpentan-1-amine
CID 54060013
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-hexadecyl-N-methylicosan-1-amine
CID 21242596
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyldodecan-1-amine;hydrochloride?
The IUPAC name of N-butyl-N-methyldodecan-1-amine;hydrochloride (CID 86105258) is N-butyl-N-methyldodecan-1-amine;hydrochloride.
What is the SMILES notation for N-butyl-N-methyldodecan-1-amine;hydrochloride?
The canonical SMILES for N-butyl-N-methyldodecan-1-amine;hydrochloride is CCCCCCCCCCCCN(C)CCCC.Cl.
What is the InChIKey of N-butyl-N-methyldodecan-1-amine;hydrochloride?
The InChIKey is LZHPKTHJWAXNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N.ClH/c1-4-6-8-9-10-11-12-13-14-15-17-18(3)16-7-5-2;/h4-17H2,1-3H3;1H.
What are the key properties of N-butyl-N-methyldodecan-1-amine;hydrochloride?
N-butyl-N-methyldodecan-1-amine;hydrochloride has a molecular weight of 291.95 g/mol, XLogP of 6.06, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyldodecan-1-amine;hydrochloride is sourced from PubChem (CID 86105258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).