N-[(1R)-1-phenylethyl]heptan-1-amine

C15H25N — CID 14866487

IUPACN-[(1R)-1-phenylethyl]heptan-1-amine
SMILESCCCCCCCN[C@H](C)c1ccccc1
InChIInChI=1S/C15H25N/c1-3-4-5-6-10-13-16-14(2)15-11-8-7-9-12-15/h7-9,11-12,14,16H,3-6,10,13H2,1-2H3/t14-/m1/s1
InChIKeyZRNKCXCARWAMHE-CQSZACIVSA-N
MW219.37 g/mol
LogP4.31
Rot. Bonds8

About N-[(1R)-1-phenylethyl]heptan-1-amine

N-[(1R)-1-phenylethyl]heptan-1-amine (PubChem CID 14866487) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]heptan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]heptan-1-amine
PubChem CID14866487
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[(1R)-1-phenylethyl]heptan-1-amine
SMILESCCCCCCCN[C@H](C)c1ccccc1
InChIInChI=1S/C15H25N/c1-3-4-5-6-10-13-16-14(2)15-11-8-7-9-12-15/h7-9,11-12,14,16H,3-6,10,13H2,1-2H3/t14-/m1/s1
InChIKeyZRNKCXCARWAMHE-CQSZACIVSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.31
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-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-benzhydryldecan-1-amine
CID 57251579
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-(4-iodophenyl)ethyl]hexan-1-amine
CID 43769665
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]heptan-1-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]heptan-1-amine (CID 14866487) is N-[(1R)-1-phenylethyl]heptan-1-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]heptan-1-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]heptan-1-amine is CCCCCCCN[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]heptan-1-amine?
The InChIKey is ZRNKCXCARWAMHE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N/c1-3-4-5-6-10-13-16-14(2)15-11-8-7-9-12-15/h7-9,11-12,14,16H,3-6,10,13H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]heptan-1-amine?
N-[(1R)-1-phenylethyl]heptan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]heptan-1-amine is sourced from PubChem (CID 14866487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).