N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine

C14H19N — CID 104807307

IUPACN-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCN[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C14H19N/c1-4-5-6-11-15-13(3)14-9-7-12(2)8-10-14/h7-10,13,15H,6,11H2,1-3H3/t13-/m1/s1
InChIKeyDLSKTZXCYXDOCO-CYBMUJFWSA-N
MW201.31 g/mol
LogP3.06
Rot. Bonds4

About N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine

N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine (PubChem CID 104807307) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine
PubChem CID104807307
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine
SMILESCC#CCCN[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C14H19N/c1-4-5-6-11-15-13(3)14-9-7-12(2)8-10-14/h7-10,13,15H,6,11H2,1-3H3/t13-/m1/s1
InChIKeyDLSKTZXCYXDOCO-CYBMUJFWSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]pent-3-yn-1-amine
CID 104758095
N-[(1S)-1-pyridin-4-ylethyl]pent-3-yn-1-amine
CID 104807399
N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine
CID 116642928
N-[1-[4-(difluoromethoxy)phenyl]ethyl]pent-3-yn-1-amine
CID 104758071
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
N-[1-(4-methylphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191140
2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 106312753

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine (CID 104807307) is N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine is CC#CCCN[C@H](C)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine?
The InChIKey is DLSKTZXCYXDOCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N/c1-4-5-6-11-15-13(3)14-9-7-12(2)8-10-14/h7-10,13,15H,6,11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine?
N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)ethyl]pent-3-yn-1-amine is sourced from PubChem (CID 104807307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).