N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine

C16H28N4 — CID 106623545

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cncn1C1CC1)CC1CCCCN1
InChIInChI=1S/C16H28N4/c1-2-9-19(11-14-5-3-4-8-18-14)12-16-10-17-13-20(16)15-6-7-15/h10,13-15,18H,2-9,11-12H2,1H3
InChIKeyPMOJGOHUALCEGK-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.57
Rot. Bonds7

About N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106623545) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106623545
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cncn1C1CC1)CC1CCCCN1
InChIInChI=1S/C16H28N4/c1-2-9-19(11-14-5-3-4-8-18-14)12-16-10-17-13-20(16)15-6-7-15/h10,13-15,18H,2-9,11-12H2,1H3
InChIKeyPMOJGOHUALCEGK-UHFFFAOYSA-N
XLogP2.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604138
N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 106603791
N-[(3-ethylimidazol-4-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606134
N-[(4-methyl-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603786
1-cyclopropyl-N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604446
N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 106623603
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 106635842
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621751
1,3-dimethyl-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
CID 106615787
N-(piperidin-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 106636093
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106623545) is N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine is CCCN(Cc1cncn1C1CC1)CC1CCCCN1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is PMOJGOHUALCEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-9-19(11-14-5-3-4-8-18-14)12-16-10-17-13-20(16)15-6-7-15/h10,13-15,18H,2-9,11-12H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.57, 7 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]-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106623545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).