N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine

C16H27N — CID 81373594

IUPACN-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
SMILESCCCCCCCN[C@H](C)c1ccccc1C
InChIInChI=1S/C16H27N/c1-4-5-6-7-10-13-17-15(3)16-12-9-8-11-14(16)2/h8-9,11-12,15,17H,4-7,10,13H2,1-3H3/t15-/m1/s1
InChIKeyKMVSNNQRYKPCSU-OAHLLOKOSA-N
MW233.40 g/mol
LogP4.62
Rot. Bonds8

About N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine

N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine (PubChem CID 81373594) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
PubChem CID81373594
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
SMILESCCCCCCCN[C@H](C)c1ccccc1C
InChIInChI=1S/C16H27N/c1-4-5-6-7-10-13-17-15(3)16-12-9-8-11-14(16)2/h8-9,11-12,15,17H,4-7,10,13H2,1-3H3/t15-/m1/s1
InChIKeyKMVSNNQRYKPCSU-OAHLLOKOSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.62
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-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 65092891
N-[1-(4-methyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115888378
N-[1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43181577
4-[[(1S)-1-(2-methylphenyl)ethyl]amino]butanenitrile
CID 81374879

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine?
The IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine (CID 81373594) is N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine is CCCCCCCN[C@H](C)c1ccccc1C.
What is the InChIKey of N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine?
The InChIKey is KMVSNNQRYKPCSU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27N/c1-4-5-6-7-10-13-17-15(3)16-12-9-8-11-14(16)2/h8-9,11-12,15,17H,4-7,10,13H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine?
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine is sourced from PubChem (CID 81373594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).