N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine

C15H27N3 — CID 50950663

IUPACN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
SMILESCC(C)Cn1cncc1CNC1CCCCCC1
InChIInChI=1S/C15H27N3/c1-13(2)11-18-12-16-9-15(18)10-17-14-7-5-3-4-6-8-14/h9,12-14,17H,3-8,10-11H2,1-2H3
InChIKeyJFLDGLBVHBLYAP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.35
Rot. Bonds5

About N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine

N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine (PubChem CID 50950663) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
PubChem CID50950663
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
SMILESCC(C)Cn1cncc1CNC1CCCCCC1
InChIInChI=1S/C15H27N3/c1-13(2)11-18-12-16-9-15(18)10-17-14-7-5-3-4-6-8-14/h9,12-14,17H,3-8,10-11H2,1-2H3
InChIKeyJFLDGLBVHBLYAP-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

N-[[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66149313
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151207
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147976
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide
CID 29214742
5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine
CID 117192903
1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150734
3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
CID 131916605

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine?
The IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine (CID 50950663) is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine.
What is the SMILES notation for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine?
The canonical SMILES for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine is CC(C)Cn1cncc1CNC1CCCCCC1.
What is the InChIKey of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine?
The InChIKey is JFLDGLBVHBLYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)11-18-12-16-9-15(18)10-17-14-7-5-3-4-6-8-14/h9,12-14,17H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine?
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine 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 N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine is sourced from PubChem (CID 50950663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).