N-(2-phenylhex-5-ynyl)cyclopropanamine

C15H19N — CID 81024680

IUPACN-(2-phenylhex-5-ynyl)cyclopropanamine
SMILESC#CCCC(CNC1CC1)c1ccccc1
InChIInChI=1S/C15H19N/c1-2-3-7-14(12-16-15-10-11-15)13-8-5-4-6-9-13/h1,4-6,8-9,14-16H,3,7,10-12H2
InChIKeyDDCUAFMNKBNWDN-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.94
Rot. Bonds6

About N-(2-phenylhex-5-ynyl)cyclopropanamine

N-(2-phenylhex-5-ynyl)cyclopropanamine (PubChem CID 81024680) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-phenylhex-5-ynyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-phenylhex-5-ynyl)cyclopropanamine
PubChem CID81024680
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-(2-phenylhex-5-ynyl)cyclopropanamine
SMILESC#CCCC(CNC1CC1)c1ccccc1
InChIInChI=1S/C15H19N/c1-2-3-7-14(12-16-15-10-11-15)13-8-5-4-6-9-13/h1,4-6,8-9,14-16H,3,7,10-12H2
InChIKeyDDCUAFMNKBNWDN-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylhex-5-enyl)cyclopropanamine
CID 81024536
N-(2-phenylnonyl)cyclopropanamine
CID 65431169
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
N-[3-(4-ethylphenyl)-2-phenylpropyl]cyclopropanamine
CID 65430983
N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine
CID 104813898
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-phenylpropyl]cyclopropanamine
CID 79561966
1-N-cyclopropyl-2-N-(2-phenylbutyl)propane-1,2-diamine
CID 113407445
5-(cyclobutylamino)-4-phenylpentan-2-ol
CID 110021962
N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine
CID 81027997
2-(3-phenylhept-6-ynoxy)oxane
CID 10683626

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylhex-5-ynyl)cyclopropanamine?
The IUPAC name of N-(2-phenylhex-5-ynyl)cyclopropanamine (CID 81024680) is N-(2-phenylhex-5-ynyl)cyclopropanamine.
What is the SMILES notation for N-(2-phenylhex-5-ynyl)cyclopropanamine?
The canonical SMILES for N-(2-phenylhex-5-ynyl)cyclopropanamine is C#CCCC(CNC1CC1)c1ccccc1.
What is the InChIKey of N-(2-phenylhex-5-ynyl)cyclopropanamine?
The InChIKey is DDCUAFMNKBNWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-3-7-14(12-16-15-10-11-15)13-8-5-4-6-9-13/h1,4-6,8-9,14-16H,3,7,10-12H2.
What are the key properties of N-(2-phenylhex-5-ynyl)cyclopropanamine?
N-(2-phenylhex-5-ynyl)cyclopropanamine has a molecular weight of 213.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylhex-5-ynyl)cyclopropanamine is sourced from PubChem (CID 81024680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).