3-benzyl-2-methylheptan-2-amine;hydrochloride

C15H26ClN — CID 173427146

IUPAC3-benzyl-2-methylheptan-2-amine;hydrochloride
SMILESCCCCC(Cc1ccccc1)C(C)(C)N.Cl
InChIInChI=1S/C15H25N.ClH/c1-4-5-11-14(15(2,3)16)12-13-9-7-6-8-10-13;/h6-10,14H,4-5,11-12,16H2,1-3H3;1H
InChIKeyUZLAZGYLSZVTFS-UHFFFAOYSA-N
MW255.83 g/mol
LogP4.19
Rot. Bonds6

About 3-benzyl-2-methylheptan-2-amine;hydrochloride

3-benzyl-2-methylheptan-2-amine;hydrochloride (PubChem CID 173427146) has the molecular formula C15H26ClN and a molecular weight of 255.83 g/mol. Its IUPAC name is 3-benzyl-2-methylheptan-2-amine;hydrochloride.

Molecular Properties

Compound Name3-benzyl-2-methylheptan-2-amine;hydrochloride
PubChem CID173427146
Molecular FormulaC15H26ClN
Molecular Weight255.83 g/mol
Exact Mass255.18
IUPAC Name3-benzyl-2-methylheptan-2-amine;hydrochloride
SMILESCCCCC(Cc1ccccc1)C(C)(C)N.Cl
InChIInChI=1S/C15H25N.ClH/c1-4-5-11-14(15(2,3)16)12-13-9-7-6-8-10-13;/h6-10,14H,4-5,11-12,16H2,1-3H3;1H
InChIKeyUZLAZGYLSZVTFS-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-2-methylheptadecan-2-amine;hydrate;hydrochloride
CID 173297757
3-benzyl-2-methyltridecan-2-amine
CID 11153328
5-benzyl-4-propylnonan-4-amine;hydrochloride
CID 173427101
2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
CID 173158521
2-(2-chloropropan-2-yl)tridecylbenzene
CID 175479853
(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide
CID 173157860
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide
CID 173157634
(6-benzyl-5-butyltetradecan-5-yl)arsane
CID 173347264
3-benzyl-2-methyltridecan-2-amine;2,4-dinitrobenzenesulfonic acid
CID 173395552
3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine
CID 175956431
(3S)-3-benzyl-4,4-dimethylhexan-1-amine
CID 71001493

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methylheptan-2-amine;hydrochloride?
The IUPAC name of 3-benzyl-2-methylheptan-2-amine;hydrochloride (CID 173427146) is 3-benzyl-2-methylheptan-2-amine;hydrochloride.
What is the SMILES notation for 3-benzyl-2-methylheptan-2-amine;hydrochloride?
The canonical SMILES for 3-benzyl-2-methylheptan-2-amine;hydrochloride is CCCCC(Cc1ccccc1)C(C)(C)N.Cl.
What is the InChIKey of 3-benzyl-2-methylheptan-2-amine;hydrochloride?
The InChIKey is UZLAZGYLSZVTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.ClH/c1-4-5-11-14(15(2,3)16)12-13-9-7-6-8-10-13;/h6-10,14H,4-5,11-12,16H2,1-3H3;1H.
What are the key properties of 3-benzyl-2-methylheptan-2-amine;hydrochloride?
3-benzyl-2-methylheptan-2-amine;hydrochloride has a molecular weight of 255.83 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methylheptan-2-amine;hydrochloride is sourced from PubChem (CID 173427146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).