N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine

C13H25N — CID 81034695

IUPACN-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine
SMILESCC(C)(C)C1CCCC1CNC1CC1
InChIInChI=1S/C13H25N/c1-13(2,3)12-6-4-5-10(12)9-14-11-7-8-11/h10-12,14H,4-9H2,1-3H3
InChIKeyHGJMLYIKKACBDR-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds3

About N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine

N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine (PubChem CID 81034695) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine
PubChem CID81034695
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine
SMILESCC(C)(C)C1CCCC1CNC1CC1
InChIInChI=1S/C13H25N/c1-13(2,3)12-6-4-5-10(12)9-14-11-7-8-11/h10-12,14H,4-9H2,1-3H3
InChIKeyHGJMLYIKKACBDR-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
(2-tert-butylcyclopentyl)methanamine
CID 81010669
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine
CID 106735497
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
CID 81024481
tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 103715573
N-[(2-methylcyclopentyl)methyl]-4-propylcyclohexan-1-amine
CID 107417481
N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 116507104
trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine
CID 66594618
2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79741802
3-(2-tert-butylcyclopentyl)-N-methylpropan-1-amine
CID 84733552
N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462
trans-(1R,2R)-2-[(cyclohexylamino)methyl]cyclopentan-1-ol
CID 15716295

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine (CID 81034695) is N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine is CC(C)(C)C1CCCC1CNC1CC1.
What is the InChIKey of N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine?
The InChIKey is HGJMLYIKKACBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-13(2,3)12-6-4-5-10(12)9-14-11-7-8-11/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine?
N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine is sourced from PubChem (CID 81034695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).