4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine

C10H19N3 — CID 62753192

IUPAC4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine
SMILESCc1ncc(CC(N)CC(C)C)[nH]1
InChIInChI=1S/C10H19N3/c1-7(2)4-9(11)5-10-6-12-8(3)13-10/h6-7,9H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyIOCGHXQKBWTUEK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.63
Rot. Bonds4

About 4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine

4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine (PubChem CID 62753192) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine
PubChem CID62753192
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine
SMILESCc1ncc(CC(N)CC(C)C)[nH]1
InChIInChI=1S/C10H19N3/c1-7(2)4-9(11)5-10-6-12-8(3)13-10/h6-7,9H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyIOCGHXQKBWTUEK-UHFFFAOYSA-N
XLogP1.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-amino-5-(2-methyl-1H-imidazol-5-yl)pentanoate
CID 62962953
2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride
CID 168922751
5-(2-butylhexyl)-2-methyl-1H-imidazole
CID 166754132
2-methyl-5-propyl-1H-imidazole
CID 22956170
4-methyl-1-pyrimidin-5-ylpentan-2-amine
CID 62753193
5-(2-chloroethyl)-2-methyl-1H-imidazole
CID 57210702
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904711
3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine
CID 84658193
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146
2-(2-methyl-1H-imidazol-5-yl)acetaldehyde
CID 87522878
2-(2-methyl-1H-imidazol-5-yl)acetonitrile
CID 22359359
5-(2-methoxyethyl)-2-methyl-1H-imidazole
CID 55301365

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine?
The IUPAC name of 4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine (CID 62753192) is 4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine is Cc1ncc(CC(N)CC(C)C)[nH]1.
What is the InChIKey of 4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine?
The InChIKey is IOCGHXQKBWTUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)4-9(11)5-10-6-12-8(3)13-10/h6-7,9H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of 4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine?
4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine is sourced from PubChem (CID 62753192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).