N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine

C13H23N — CID 107001196

IUPACN-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1CC1(C)C
InChIInChI=1S/C13H23N/c1-4-14-12(10-7-5-6-8-10)11-9-13(11,2)3/h7,11-12,14H,4-6,8-9H2,1-3H3
InChIKeyOWFIPTUZUIMFKK-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.12
Rot. Bonds4

About N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine

N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine (PubChem CID 107001196) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
PubChem CID107001196
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)C1CC1(C)C
InChIInChI=1S/C13H23N/c1-4-14-12(10-7-5-6-8-10)11-9-13(11,2)3/h7,11-12,14H,4-6,8-9H2,1-3H3
InChIKeyOWFIPTUZUIMFKK-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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]ethanamine
CID 66477455
[cyclohepten-1-yl-(2,2-dimethylcyclopropyl)methyl]hydrazine
CID 107005912
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
N-[(2,2-dimethylcyclopropyl)-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
CID 107001032
N-[cyclopenten-1-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126541
N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107001147
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106653336
N-[cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 106657478
N-[cycloocten-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 106654312
N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107004233
N-[cyclohexen-1-yl-(3-ethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 106654169

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine (CID 107001196) is N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine is CCNC(C1=CCCC1)C1CC1(C)C.
What is the InChIKey of N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine?
The InChIKey is OWFIPTUZUIMFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-14-12(10-7-5-6-8-10)11-9-13(11,2)3/h7,11-12,14H,4-6,8-9H2,1-3H3.
What are the key properties of N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine?
N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine has a molecular weight of 193.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 107001196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).