1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine

C16H22N2 — CID 139541808

IUPAC1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine
SMILESNC1(/C(=N/Cc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C16H22N2/c17-16(10-11-16)15(14-8-4-5-9-14)18-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2/b18-15+
InChIKeyIZURLQGZOMENLG-OBGWFSINSA-N
MW242.37 g/mol
LogP3.31
Rot. Bonds4

About 1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine

1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine (PubChem CID 139541808) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine
PubChem CID139541808
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine
SMILESNC1(/C(=N/Cc2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C16H22N2/c17-16(10-11-16)15(14-8-4-5-9-14)18-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2/b18-15+
InChIKeyIZURLQGZOMENLG-OBGWFSINSA-N
XLogP3.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-benzylimino-2-cyclopentylethanamine
CID 144840714
2-benzylguanidine;bis(tricyclohexylphosphane)
CID 158132606
N'-benzyladamantane-1-carboximidamide
CID 18373602
2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 130557052
2-benzyl-1-(thian-2-ylmethyl)guanidine
CID 130166828
2-benzyl-1-cyclopentyl-3-(diaminomethylidene)guanidine;hydrochloride
CID 53308012
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
N'-(3-phenylpropyl)cyclohexanecarboximidamide
CID 63175493
2-benzyl-1-(3,3-difluorocyclopentyl)guanidine
CID 130625535
N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide
CID 131096339
1-amino-2-benzyl-3-cyclopropylguanidine
CID 116511559
N-benzylcyclopentanecarboxamide
CID 835634

Frequently Asked Questions

What is the IUPAC name of 1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine?
The IUPAC name of 1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine (CID 139541808) is 1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine?
The canonical SMILES for 1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine is NC1(/C(=N/Cc2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine?
The InChIKey is IZURLQGZOMENLG-OBGWFSINSA-N. The full InChI is InChI=1S/C16H22N2/c17-16(10-11-16)15(14-8-4-5-9-14)18-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2/b18-15+.
What are the key properties of 1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine?
1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine is sourced from PubChem (CID 139541808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).