N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine

C13H23N — CID 62079995

IUPACN-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)C1CC1C
InChIInChI=1S/C13H23N/c1-3-8-14-13(12-9-10(12)2)11-6-4-5-7-11/h6,10,12-14H,3-5,7-9H2,1-2H3
InChIKeyHKOYQHDBXGIJSZ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.12
Rot. Bonds5

About N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine

N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 62079995) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine
PubChem CID62079995
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)C1CC1C
InChIInChI=1S/C13H23N/c1-3-8-14-13(12-9-10(12)2)11-6-4-5-7-11/h6,10,12-14H,3-5,7-9H2,1-2H3
InChIKeyHKOYQHDBXGIJSZ-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66477456
N-[cyclohexen-1-yl-(3-methyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 106654161
N-[cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methyl]propan-1-amine
CID 64904123
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[1-(cyclopenten-1-yl)-2-cyclopropylethyl]propan-1-amine
CID 62079426
N-[cycloocten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 106653224
N-[cycloocten-1-yl-(4,4-difluorocyclohexyl)methyl]propan-1-amine
CID 106656859
N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625497
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 65297277
N-[2-cyclobutyl-1-(cyclopenten-1-yl)ethyl]propan-1-amine
CID 103163068
cyclopenten-1-yl-(2-methylcyclopropyl)methanol
CID 62080405
N-[cycloocten-1-yl-(3-ethyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 106654173

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine (CID 62079995) is N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine is CCCNC(C1=CCCC1)C1CC1C.
What is the InChIKey of N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is HKOYQHDBXGIJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-8-14-13(12-9-10(12)2)11-6-4-5-7-11/h6,10,12-14H,3-5,7-9H2,1-2H3.
What are the key properties of N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine?
N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl-(2-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 62079995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).