3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine

C17H32N4 — CID 79751932

IUPAC3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine
SMILESCCCn1ccnc1CC(N)C(C)(CC)N1CCCCC1
InChIInChI=1S/C17H32N4/c1-4-10-20-13-9-19-16(20)14-15(18)17(3,5-2)21-11-7-6-8-12-21/h9,13,15H,4-8,10-12,14,18H2,1-3H3
InChIKeyULBVKAWBDPMQHS-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.82
Rot. Bonds7

About 3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine

3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine (PubChem CID 79751932) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine
PubChem CID79751932
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine
SMILESCCCn1ccnc1CC(N)C(C)(CC)N1CCCCC1
InChIInChI=1S/C17H32N4/c1-4-10-20-13-9-19-16(20)14-15(18)17(3,5-2)21-11-7-6-8-12-21/h9,13,15H,4-8,10-12,14,18H2,1-3H3
InChIKeyULBVKAWBDPMQHS-UHFFFAOYSA-N
XLogP2.82
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79060447
2-(azepan-1-yl)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 79051819
3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylpentan-2-amine
CID 79761529
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105240426
3-methyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068478
[3-methyl-3-morpholin-4-yl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105240220
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79045251
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068946
N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine
CID 114530433
1-(1-ethylimidazol-2-yl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79064925
4-methyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylpentan-3-amine
CID 114530411
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 104736500

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine?
The IUPAC name of 3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine (CID 79751932) is 3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine is CCCn1ccnc1CC(N)C(C)(CC)N1CCCCC1.
What is the InChIKey of 3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine?
The InChIKey is ULBVKAWBDPMQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-10-20-13-9-19-16(20)14-15(18)17(3,5-2)21-11-7-6-8-12-21/h9,13,15H,4-8,10-12,14,18H2,1-3H3.
What are the key properties of 3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine?
3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 79751932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).