(2R)-N-benzylheptan-2-amine

C14H23N — CID 14923313

IUPAC(2R)-N-benzylheptan-2-amine
SMILESCCCCC[C@@H](C)NCc1ccccc1
InChIInChI=1S/C14H23N/c1-3-4-6-9-13(2)15-12-14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3/t13-/m1/s1
InChIKeyYCZYWVSNLFQMFI-CYBMUJFWSA-N
MW205.35 g/mol
LogP3.74
Rot. Bonds7

About (2R)-N-benzylheptan-2-amine

(2R)-N-benzylheptan-2-amine (PubChem CID 14923313) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is (2R)-N-benzylheptan-2-amine.

Molecular Properties

Compound Name(2R)-N-benzylheptan-2-amine
PubChem CID14923313
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name(2R)-N-benzylheptan-2-amine
SMILESCCCCC[C@@H](C)NCc1ccccc1
InChIInChI=1S/C14H23N/c1-3-4-6-9-13(2)15-12-14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3/t13-/m1/s1
InChIKeyYCZYWVSNLFQMFI-CYBMUJFWSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.74
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-benzylnonadecan-2-amine;hydrochloride
CID 173191574
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
N-benzyltridecan-6-amine
CID 166644944
4-(benzylamino)pentan-1-ol
CID 75356500
N-benzyl-5-methylhexan-2-amine
CID 43177530
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
1-N'-benzyl-1-N-ethyloctane-1,1-diamine
CID 170086019
(2S)-N-benzyl-4-chlorobutan-2-amine
CID 10776031
N-benzyl-4-chlorobutan-2-amine
CID 85264317
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzylheptan-2-amine?
The IUPAC name of (2R)-N-benzylheptan-2-amine (CID 14923313) is (2R)-N-benzylheptan-2-amine.
What is the SMILES notation for (2R)-N-benzylheptan-2-amine?
The canonical SMILES for (2R)-N-benzylheptan-2-amine is CCCCC[C@@H](C)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzylheptan-2-amine?
The InChIKey is YCZYWVSNLFQMFI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N/c1-3-4-6-9-13(2)15-12-14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,3-4,6,9,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-N-benzylheptan-2-amine?
(2R)-N-benzylheptan-2-amine has a molecular weight of 205.35 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzylheptan-2-amine is sourced from PubChem (CID 14923313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).