N-benzyl-5-methylhexan-2-amine

C14H23N — CID 43177530

IUPACN-benzyl-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1ccccc1
InChIInChI=1S/C14H23N/c1-12(2)9-10-13(3)15-11-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3
InChIKeyKZCXOVKSEAXMPM-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.60
Rot. Bonds6

About N-benzyl-5-methylhexan-2-amine

N-benzyl-5-methylhexan-2-amine (PubChem CID 43177530) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-benzyl-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-benzyl-5-methylhexan-2-amine
PubChem CID43177530
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-benzyl-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1ccccc1
InChIInChI=1S/C14H23N/c1-12(2)9-10-13(3)15-11-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3
InChIKeyKZCXOVKSEAXMPM-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-benzyl-4-chlorobutan-2-amine
CID 10776031
N-benzyl-4-chlorobutan-2-amine
CID 85264317
3-N-benzyl-1-N-bromobutane-1,3-diamine
CID 123611017
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine
CID 65479220
(2R)-N-benzylheptan-2-amine
CID 14923313
4-(benzylamino)pentan-1-ol
CID 75356500
2-[4-[(5-methylhexan-2-ylamino)methyl]phenyl]acetic acid
CID 103252197
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methylhexan-2-amine?
The IUPAC name of N-benzyl-5-methylhexan-2-amine (CID 43177530) is N-benzyl-5-methylhexan-2-amine.
What is the SMILES notation for N-benzyl-5-methylhexan-2-amine?
The canonical SMILES for N-benzyl-5-methylhexan-2-amine is CC(C)CCC(C)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-methylhexan-2-amine?
The InChIKey is KZCXOVKSEAXMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-12(2)9-10-13(3)15-11-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3.
What are the key properties of N-benzyl-5-methylhexan-2-amine?
N-benzyl-5-methylhexan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methylhexan-2-amine is sourced from PubChem (CID 43177530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).