N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine

C12H21N3 — CID 117187481

IUPACN-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
SMILESCC(C)n1ccnc1CNC1CCCC1
InChIInChI=1S/C12H21N3/c1-10(2)15-8-7-13-12(15)9-14-11-5-3-4-6-11/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyRTNWPTFWNWAXOX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.50
Rot. Bonds4

About N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine

N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine (PubChem CID 117187481) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
PubChem CID117187481
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
SMILESCC(C)n1ccnc1CNC1CCCC1
InChIInChI=1S/C12H21N3/c1-10(2)15-8-7-13-12(15)9-14-11-5-3-4-6-11/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyRTNWPTFWNWAXOX-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(1-propan-2-ylimidazol-2-yl)methylamino]piperidin-1-yl]benzoic acid
CID 166253787
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid
CID 83049344
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
(1S)-1-cycloheptyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 81391865
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-(1-cyclopentylethyl)-1-propan-2-ylimidazol-2-amine
CID 106573564
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
N-(2-cyclohexylethyl)-1-propan-2-ylimidazol-2-amine
CID 106563351
N-[(2R)-2-[(1-propan-2-ylimidazol-2-yl)methylamino]propyl]cyclopropanesulfonamide
CID 125443200
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine (CID 117187481) is N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine is CC(C)n1ccnc1CNC1CCCC1.
What is the InChIKey of N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine?
The InChIKey is RTNWPTFWNWAXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)15-8-7-13-12(15)9-14-11-5-3-4-6-11/h7-8,10-11,14H,3-6,9H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine?
N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine has a molecular weight of 207.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 117187481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).