2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine

C16H30N4 — CID 66131413

IUPAC2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
SMILESCCCn1cncc1C(CN)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H30N4/c1-4-8-20-13-18-12-15(20)14(11-17)19-9-5-6-16(2,3)7-10-19/h12-14H,4-11,17H2,1-3H3
InChIKeyUCJPWIKWFMVEDH-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.81
Rot. Bonds5

About 2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine

2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine (PubChem CID 66131413) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
PubChem CID66131413
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
SMILESCCCn1cncc1C(CN)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H30N4/c1-4-8-20-13-18-12-15(20)14(11-17)19-9-5-6-16(2,3)7-10-19/h12-14H,4-11,17H2,1-3H3
InChIKeyUCJPWIKWFMVEDH-UHFFFAOYSA-N
XLogP2.81
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine (CID 66131413) is 2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine is CCCn1cncc1C(CN)N1CCCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine?
The InChIKey is UCJPWIKWFMVEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-8-20-13-18-12-15(20)14(11-17)19-9-5-6-16(2,3)7-10-19/h12-14H,4-11,17H2,1-3H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine?
2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine has a molecular weight of 278.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine is sourced from PubChem (CID 66131413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).