N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine

C13H24N4 — CID 66135560

IUPACN-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine
SMILESCCN(Cc1cncn1CC)C1CCCNC1
InChIInChI=1S/C13H24N4/c1-3-16(12-6-5-7-14-8-12)10-13-9-15-11-17(13)4-2/h9,11-12,14H,3-8,10H2,1-2H3
InChIKeyMKKVSBMPTHGPAM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.48
Rot. Bonds5

About N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine

N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine (PubChem CID 66135560) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine
PubChem CID66135560
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine
SMILESCCN(Cc1cncn1CC)C1CCCNC1
InChIInChI=1S/C13H24N4/c1-3-16(12-6-5-7-14-8-12)10-13-9-15-11-17(13)4-2/h9,11-12,14H,3-8,10H2,1-2H3
InChIKeyMKKVSBMPTHGPAM-UHFFFAOYSA-N
XLogP1.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66133909
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715367
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621751
6-[[ethyl(piperidin-3-yl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 63637130
N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
CID 63636373
N-ethyl-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 63637300
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603082
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66133908
N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
CID 66155195
1-cyclopropyl-N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604446

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine (CID 66135560) is N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine is CCN(Cc1cncn1CC)C1CCCNC1.
What is the InChIKey of N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is MKKVSBMPTHGPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-16(12-6-5-7-14-8-12)10-13-9-15-11-17(13)4-2/h9,11-12,14H,3-8,10H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine?
N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 66135560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).