1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine

C16H30N4 — CID 66133866

IUPAC1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine
SMILESCCn1cncc1C1C(CNC)CCCCN1C(C)C
InChIInChI=1S/C16H30N4/c1-5-19-12-18-11-15(19)16-14(10-17-4)8-6-7-9-20(16)13(2)3/h11-14,16-17H,5-10H2,1-4H3
InChIKeyMVOXEWAGWJYHLQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.67
Rot. Bonds5

About 1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine

1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine (PubChem CID 66133866) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine
PubChem CID66133866
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine
SMILESCCn1cncc1C1C(CNC)CCCCN1C(C)C
InChIInChI=1S/C16H30N4/c1-5-19-12-18-11-15(19)16-14(10-17-4)8-6-7-9-20(16)13(2)3/h11-14,16-17H,5-10H2,1-4H3
InChIKeyMVOXEWAGWJYHLQ-UHFFFAOYSA-N
XLogP2.67
TPSA33.09 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine
CID 66117489
1-[1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-yl]-N-methylmethanamine
CID 66163179
N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 114554487
N-[[1-methyl-2-(3-propylimidazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 66131375
1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66163144
N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66130769
1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
CID 106818565
1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 103570754
1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
CID 66163787
1-[1-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 66161757
1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine
CID 81026716
N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66163826

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine (CID 66133866) is 1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine is CCn1cncc1C1C(CNC)CCCCN1C(C)C.
What is the InChIKey of 1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine?
The InChIKey is MVOXEWAGWJYHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-19-12-18-11-15(19)16-14(10-17-4)8-6-7-9-20(16)13(2)3/h11-14,16-17H,5-10H2,1-4H3.
What are the key properties of 1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine?
1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine has a molecular weight of 278.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66133866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).