N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine

C16H28N4 — CID 114721676

IUPACN,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine
SMILESCN(C)C1(Cn2cncc2C2(C)CCNC2)CCCC1
InChIInChI=1S/C16H28N4/c1-15(8-9-17-11-15)14-10-18-13-20(14)12-16(19(2)3)6-4-5-7-16/h10,13,17H,4-9,11-12H2,1-3H3
InChIKeyPNNFQTUAKKRHLB-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.01
Rot. Bonds4

About N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine

N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine (PubChem CID 114721676) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine
PubChem CID114721676
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine
SMILESCN(C)C1(Cn2cncc2C2(C)CCNC2)CCCC1
InChIInChI=1S/C16H28N4/c1-15(8-9-17-11-15)14-10-18-13-20(14)12-16(19(2)3)6-4-5-7-16/h10,13,17H,4-9,11-12H2,1-3H3
InChIKeyPNNFQTUAKKRHLB-UHFFFAOYSA-N
XLogP2.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine (CID 114721676) is N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine is CN(C)C1(Cn2cncc2C2(C)CCNC2)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine?
The InChIKey is PNNFQTUAKKRHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-15(8-9-17-11-15)14-10-18-13-20(14)12-16(19(2)3)6-4-5-7-16/h10,13,17H,4-9,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 114721676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).