5-benzyl-4-propylnonan-4-amine;hydrochloride

C19H34ClN — CID 173427101

IUPAC5-benzyl-4-propylnonan-4-amine;hydrochloride
SMILESCCCCC(Cc1ccccc1)C(N)(CCC)CCC.Cl
InChIInChI=1S/C19H33N.ClH/c1-4-7-13-18(16-17-11-9-8-10-12-17)19(20,14-5-2)15-6-3;/h8-12,18H,4-7,13-16,20H2,1-3H3;1H
InChIKeyYGXMABIBDHUAQT-UHFFFAOYSA-N
MW311.94 g/mol
LogP5.76
Rot. Bonds10

About 5-benzyl-4-propylnonan-4-amine;hydrochloride

5-benzyl-4-propylnonan-4-amine;hydrochloride (PubChem CID 173427101) has the molecular formula C19H34ClN and a molecular weight of 311.94 g/mol. Its IUPAC name is 5-benzyl-4-propylnonan-4-amine;hydrochloride.

Molecular Properties

Compound Name5-benzyl-4-propylnonan-4-amine;hydrochloride
PubChem CID173427101
Molecular FormulaC19H34ClN
Molecular Weight311.94 g/mol
Exact Mass311.24
IUPAC Name5-benzyl-4-propylnonan-4-amine;hydrochloride
SMILESCCCCC(Cc1ccccc1)C(N)(CCC)CCC.Cl
InChIInChI=1S/C19H33N.ClH/c1-4-7-13-18(16-17-11-9-8-10-12-17)19(20,14-5-2)15-6-3;/h8-12,18H,4-7,13-16,20H2,1-3H3;1H
InChIKeyYGXMABIBDHUAQT-UHFFFAOYSA-N
XLogP5.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.94
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-2-methylheptan-2-amine;hydrochloride
CID 173427146
2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
CID 173158521
3-benzyl-2-methylheptadecan-2-amine;hydrate;hydrochloride
CID 173297757
3-benzyl-2-methyltridecan-2-amine
CID 11153328
2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide
CID 173157634
(6-benzyl-5-butyltetradecan-5-yl)arsane
CID 173347264
2-(2-chloropropan-2-yl)tridecylbenzene
CID 175479853
(6-benzyl-5-butyltetradecan-5-yl)arsane;hydrate
CID 173347263
5-phenyl-4-propylpentadecan-4-amine;hydrochloride
CID 173426858
(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide
CID 173157860
2-(1,1,1-trichloro-2-methoxypentan-2-yl)nonylbenzene
CID 152703640
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-propylnonan-4-amine;hydrochloride?
The IUPAC name of 5-benzyl-4-propylnonan-4-amine;hydrochloride (CID 173427101) is 5-benzyl-4-propylnonan-4-amine;hydrochloride.
What is the SMILES notation for 5-benzyl-4-propylnonan-4-amine;hydrochloride?
The canonical SMILES for 5-benzyl-4-propylnonan-4-amine;hydrochloride is CCCCC(Cc1ccccc1)C(N)(CCC)CCC.Cl.
What is the InChIKey of 5-benzyl-4-propylnonan-4-amine;hydrochloride?
The InChIKey is YGXMABIBDHUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N.ClH/c1-4-7-13-18(16-17-11-9-8-10-12-17)19(20,14-5-2)15-6-3;/h8-12,18H,4-7,13-16,20H2,1-3H3;1H.
What are the key properties of 5-benzyl-4-propylnonan-4-amine;hydrochloride?
5-benzyl-4-propylnonan-4-amine;hydrochloride has a molecular weight of 311.94 g/mol, XLogP of 5.76, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-propylnonan-4-amine;hydrochloride is sourced from PubChem (CID 173427101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).