1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine

C14H26N4 — CID 66163787

IUPAC1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
SMILESCCN1CCCCC(N)C1c1cncn1C(C)C
InChIInChI=1S/C14H26N4/c1-4-17-8-6-5-7-12(15)14(17)13-9-16-10-18(13)11(2)3/h9-12,14H,4-8,15H2,1-3H3
InChIKeyPXSFNGRNDUNEDC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.34
Rot. Bonds3

About 1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine

1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine (PubChem CID 66163787) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine.

Molecular Properties

Compound Name1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
PubChem CID66163787
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
SMILESCCN1CCCCC(N)C1c1cncn1C(C)C
InChIInChI=1S/C14H26N4/c1-4-17-8-6-5-7-12(15)14(17)13-9-16-10-18(13)11(2)3/h9-12,14H,4-8,15H2,1-3H3
InChIKeyPXSFNGRNDUNEDC-UHFFFAOYSA-N
XLogP2.34
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine?
The IUPAC name of 1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine (CID 66163787) is 1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine.
What is the SMILES notation for 1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine?
The canonical SMILES for 1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine is CCN1CCCCC(N)C1c1cncn1C(C)C.
What is the InChIKey of 1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine?
The InChIKey is PXSFNGRNDUNEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-17-8-6-5-7-12(15)14(17)13-9-16-10-18(13)11(2)3/h9-12,14H,4-8,15H2,1-3H3.
What are the key properties of 1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine?
1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine has a molecular weight of 250.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine is sourced from PubChem (CID 66163787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).