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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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).