N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride

C20H36ClN — CID 174059369

IUPACN-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
SMILESCCCCCCCCCCN(C)CCCc1ccccc1.Cl
InChIInChI=1S/C20H35N.ClH/c1-3-4-5-6-7-8-9-13-18-21(2)19-14-17-20-15-11-10-12-16-20;/h10-12,15-16H,3-9,13-14,17-19H2,1-2H3;1H
InChIKeyUTRGIIDXTVBWJR-UHFFFAOYSA-N
MW325.97 g/mol
LogP6.11
Rot. Bonds13

About N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride

N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride (PubChem CID 174059369) has the molecular formula C20H36ClN and a molecular weight of 325.97 g/mol. Its IUPAC name is N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
PubChem CID174059369
Molecular FormulaC20H36ClN
Molecular Weight325.97 g/mol
Exact Mass325.25
IUPAC NameN-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride
SMILESCCCCCCCCCCN(C)CCCc1ccccc1.Cl
InChIInChI=1S/C20H35N.ClH/c1-3-4-5-6-7-8-9-13-18-21(2)19-14-17-20-15-11-10-12-16-20;/h10-12,15-16H,3-9,13-14,17-19H2,1-2H3;1H
InChIKeyUTRGIIDXTVBWJR-UHFFFAOYSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.97
LogP ≤ 56.11
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

bis(N-methyl-N-(4-phenylbutyl)nonan-1-amine);oxalic acid
CID 173427638
N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
N-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride?
The IUPAC name of N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride (CID 174059369) is N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride is CCCCCCCCCCN(C)CCCc1ccccc1.Cl.
What is the InChIKey of N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride?
The InChIKey is UTRGIIDXTVBWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N.ClH/c1-3-4-5-6-7-8-9-13-18-21(2)19-14-17-20-15-11-10-12-16-20;/h10-12,15-16H,3-9,13-14,17-19H2,1-2H3;1H.
What are the key properties of N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride?
N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride has a molecular weight of 325.97 g/mol, XLogP of 6.11, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylpropyl)decan-1-amine;hydrochloride is sourced from PubChem (CID 174059369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).