N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine

C15H20ClN — CID 99780755

IUPACN-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
SMILESC#CCCCCN[C@H](CC)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN/c1-3-5-6-7-11-17-15(4-2)13-9-8-10-14(16)12-13/h1,8-10,12,15,17H,4-7,11H2,2H3/t15-/m1/s1
InChIKeyRLRKFOUAIDRNOE-OAHLLOKOSA-N
MW249.78 g/mol
LogP4.18
Rot. Bonds7

About N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine

N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine (PubChem CID 99780755) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
PubChem CID99780755
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC NameN-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
SMILESC#CCCCCN[C@H](CC)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN/c1-3-5-6-7-11-17-15(4-2)13-9-8-10-14(16)12-13/h1,8-10,12,15,17H,4-7,11H2,2H3/t15-/m1/s1
InChIKeyRLRKFOUAIDRNOE-OAHLLOKOSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.18
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

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CID 43673971
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N-[1-(3-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
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N-[1-(3-chlorophenyl)propyl]pent-1-yn-3-amine
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N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
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N-(1-phenylpropyl)but-3-yn-1-amine
CID 63654885
2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine (CID 99780755) is N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine is C#CCCCCN[C@H](CC)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine?
The InChIKey is RLRKFOUAIDRNOE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20ClN/c1-3-5-6-7-11-17-15(4-2)13-9-8-10-14(16)12-13/h1,8-10,12,15,17H,4-7,11H2,2H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine?
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine has a molecular weight of 249.78 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine is sourced from PubChem (CID 99780755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).