1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine

C17H30N4 — CID 66163144

IUPAC1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
SMILESCCCN1CCCCC(CNC)C1c1cncn1C1CC1
InChIInChI=1S/C17H30N4/c1-3-9-20-10-5-4-6-14(11-18-2)17(20)16-12-19-13-21(16)15-7-8-15/h12-15,17-18H,3-11H2,1-2H3
InChIKeyLKHGAQWBPUKPNT-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.99
Rot. Bonds6

About 1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine

1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine (PubChem CID 66163144) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
PubChem CID66163144
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
SMILESCCCN1CCCCC(CNC)C1c1cncn1C1CC1
InChIInChI=1S/C17H30N4/c1-3-9-20-10-5-4-6-14(11-18-2)17(20)16-12-19-13-21(16)15-7-8-15/h12-15,17-18H,3-11H2,1-2H3
InChIKeyLKHGAQWBPUKPNT-UHFFFAOYSA-N
XLogP2.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 66161757
1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 103570754
1-[1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-yl]-N-methylmethanamine
CID 66163179
N-methyl-1-[1-propyl-2-(1,3-thiazol-2-yl)azepan-3-yl]methanamine
CID 113373161
N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine
CID 66117489
[2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
CID 66162340
1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine
CID 66133866
1-[4-cyclopropyl-3-(3-cyclopropylimidazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 66162950
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 66163942
N-[[1-methyl-2-(3-propylimidazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 66131375
[1-ethyl-2-(3-methylimidazol-4-yl)azepan-3-yl]methanamine
CID 66116859

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine (CID 66163144) is 1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine is CCCN1CCCCC(CNC)C1c1cncn1C1CC1.
What is the InChIKey of 1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine?
The InChIKey is LKHGAQWBPUKPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-9-20-10-5-4-6-14(11-18-2)17(20)16-12-19-13-21(16)15-7-8-15/h12-15,17-18H,3-11H2,1-2H3.
What are the key properties of 1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine?
1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66163144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).