2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine

C15H27N3 — CID 66129396

IUPAC2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine
SMILESCCCn1cncc1CNC1CCCCCC1C
InChIInChI=1S/C15H27N3/c1-3-9-18-12-16-10-14(18)11-17-15-8-6-4-5-7-13(15)2/h10,12-13,15,17H,3-9,11H2,1-2H3
InChIKeyBUIMOKHJMLFGLY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.35
Rot. Bonds5

About 2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine

2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine (PubChem CID 66129396) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine
PubChem CID66129396
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine
SMILESCCCn1cncc1CNC1CCCCCC1C
InChIInChI=1S/C15H27N3/c1-3-9-18-12-16-10-14(18)11-17-15-8-6-4-5-7-13(15)2/h10,12-13,15,17H,3-9,11H2,1-2H3
InChIKeyBUIMOKHJMLFGLY-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-propylimidazol-4-yl)methylamino]cyclopentyl]methanol
CID 114178487
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 66129997
1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine
CID 66135498
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine
CID 66129398
N-[(3-propylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007579
1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130194
N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 66130357
2,2,6,6-tetramethyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134567
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507
cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 94577889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine (CID 66129396) is 2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine is CCCn1cncc1CNC1CCCCCC1C.
What is the InChIKey of 2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine?
The InChIKey is BUIMOKHJMLFGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-9-18-12-16-10-14(18)11-17-15-8-6-4-5-7-13(15)2/h10,12-13,15,17H,3-9,11H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine?
2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 66129396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).