N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine

C15H28N4 — CID 66154550

IUPACN-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cncn2CC)CC1
InChIInChI=1S/C15H28N4/c1-3-7-16-10-14-5-8-18(9-6-14)12-15-11-17-13-19(15)4-2/h11,13-14,16H,3-10,12H2,1-2H3
InChIKeyVWDCBVQQJJCOLE-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.11
Rot. Bonds7

About N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine

N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine (PubChem CID 66154550) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
PubChem CID66154550
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(Cc2cncn2CC)CC1
InChIInChI=1S/C15H28N4/c1-3-7-16-10-14-5-8-18(9-6-14)12-15-11-17-13-19(15)4-2/h11,13-14,16H,3-10,12H2,1-2H3
InChIKeyVWDCBVQQJJCOLE-UHFFFAOYSA-N
XLogP2.11
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine (CID 66154550) is N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(Cc2cncn2CC)CC1.
What is the InChIKey of N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is VWDCBVQQJJCOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-7-16-10-14-5-8-18(9-6-14)12-15-11-17-13-19(15)4-2/h11,13-14,16H,3-10,12H2,1-2H3.
What are the key properties of N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine?
N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66154550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).