N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine

C15H28N4 — CID 66117489

IUPACN-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine
SMILESCNCC1CCCCN(C(C)C)C1c1cncn1C
InChIInChI=1S/C15H28N4/c1-12(2)19-8-6-5-7-13(9-16-3)15(19)14-10-17-11-18(14)4/h10-13,15-16H,5-9H2,1-4H3
InChIKeyDDGBFVZTJWBKKG-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.19
Rot. Bonds4

About N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine

N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine (PubChem CID 66117489) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine
PubChem CID66117489
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine
SMILESCNCC1CCCCN(C(C)C)C1c1cncn1C
InChIInChI=1S/C15H28N4/c1-12(2)19-8-6-5-7-13(9-16-3)15(19)14-10-17-11-18(14)4/h10-13,15-16H,5-9H2,1-4H3
InChIKeyDDGBFVZTJWBKKG-UHFFFAOYSA-N
XLogP2.19
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine
CID 66133866
N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 114554487
1-[1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-yl]-N-methylmethanamine
CID 66163179
N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine
CID 79365081
1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66163144
1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine
CID 128983758
[1-ethyl-2-(3-methylimidazol-4-yl)azepan-3-yl]methanamine
CID 66116859
N-[[2-(3-methylimidazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 66116304
N-[[1-methyl-2-(3-propylimidazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 66131375
1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
CID 106818565
N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine
CID 66118550
1-[1-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 66161757

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine (CID 66117489) is N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine is CNCC1CCCCN(C(C)C)C1c1cncn1C.
What is the InChIKey of N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine?
The InChIKey is DDGBFVZTJWBKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)19-8-6-5-7-13(9-16-3)15(19)14-10-17-11-18(14)4/h10-13,15-16H,5-9H2,1-4H3.
What are the key properties of N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine?
N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine has a molecular weight of 264.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine is sourced from PubChem (CID 66117489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).