N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine

C13H22N4 — CID 66164730

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NCc2cncn2C2CC2)C1
InChIInChI=1S/C13H22N4/c1-16-6-2-3-11(9-16)15-8-13-7-14-10-17(13)12-4-5-12/h7,10-12,15H,2-6,8-9H2,1H3
InChIKeyCPWPDPYYEKOALQ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.40
Rot. Bonds4

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine (PubChem CID 66164730) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine
PubChem CID66164730
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NCc2cncn2C2CC2)C1
InChIInChI=1S/C13H22N4/c1-16-6-2-3-11(9-16)15-8-13-7-14-10-17(13)12-4-5-12/h7,10-12,15H,2-6,8-9H2,1H3
InChIKeyCPWPDPYYEKOALQ-UHFFFAOYSA-N
XLogP1.40
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66140196
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 66162353
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methylcyclohexan-1-amine
CID 66164873
N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66139617
N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147577
1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 66161737
N-[(3-cyclopropylimidazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 66164257
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine
CID 114117964
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 66162681
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 66164278
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine (CID 66164730) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine is CN1CCCC(NCc2cncn2C2CC2)C1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is CPWPDPYYEKOALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-6-2-3-11(9-16)15-8-13-7-14-10-17(13)12-4-5-12/h7,10-12,15H,2-6,8-9H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 66164730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).