N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine

C14H26N4 — CID 66155195

IUPACN-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCCN(Cc1cncn1C(C)C)C1CCNCC1
InChIInChI=1S/C14H26N4/c1-4-17(13-5-7-15-8-6-13)10-14-9-16-11-18(14)12(2)3/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyWMBUHQJXXZKZPU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine

N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 66155195) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
PubChem CID66155195
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCCN(Cc1cncn1C(C)C)C1CCNCC1
InChIInChI=1S/C14H26N4/c1-4-17(13-5-7-15-8-6-13)10-14-9-16-11-18(14)12(2)3/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyWMBUHQJXXZKZPU-UHFFFAOYSA-N
XLogP2.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine (CID 66155195) is N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine is CCN(Cc1cncn1C(C)C)C1CCNCC1.
What is the InChIKey of N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is WMBUHQJXXZKZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-17(13-5-7-15-8-6-13)10-14-9-16-11-18(14)12(2)3/h9,11-13,15H,4-8,10H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine?
N-ethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.04, 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-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 66155195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).