N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride

C16H34ClN — CID 173417762

IUPACN-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCNC=C(C)C.Cl
InChIInChI=1S/C16H33N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)3;/h15,17H,4-14H2,1-3H3;1H
InChIKeyYCXVSKFFKRTDJB-UHFFFAOYSA-N
MW275.91 g/mol
LogP5.84
Rot. Bonds12

About N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride

N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride (PubChem CID 173417762) has the molecular formula C16H34ClN and a molecular weight of 275.91 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride
PubChem CID173417762
Molecular FormulaC16H34ClN
Molecular Weight275.91 g/mol
Exact Mass275.24
IUPAC NameN-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCNC=C(C)C.Cl
InChIInChI=1S/C16H33N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)3;/h15,17H,4-14H2,1-3H3;1H
InChIKeyYCXVSKFFKRTDJB-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.91
LogP ≤ 55.84
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

N-(2-methylprop-1-enyl)dodecan-1-amine
CID 88695938
(E)-3-(hexylamino)-2-methylprop-2-enoic acid
CID 87504773
(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride
CID 155225855
N-[(E)-prop-1-enyl]dodecan-1-amine
CID 88674859
(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine
CID 166834532
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-ethenyltetradecan-1-amine
CID 175788828
N-(3-methylbut-2-enyl)decan-1-amine
CID 107900086
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
N-docosyldocosan-1-amine;hydrochloride
CID 173181498

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride?
The IUPAC name of N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride (CID 173417762) is N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride.
What is the SMILES notation for N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride?
The canonical SMILES for N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride is CCCCCCCCCCCCNC=C(C)C.Cl.
What is the InChIKey of N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride?
The InChIKey is YCXVSKFFKRTDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)3;/h15,17H,4-14H2,1-3H3;1H.
What are the key properties of N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride?
N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride has a molecular weight of 275.91 g/mol, XLogP of 5.84, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride is sourced from PubChem (CID 173417762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).