N-methyl-1-pentan-3-ylimidazol-2-amine

C9H17N3 — CID 106555013

IUPACN-methyl-1-pentan-3-ylimidazol-2-amine
SMILESCCC(CC)n1ccnc1NC
InChIInChI=1S/C9H17N3/c1-4-8(5-2)12-7-6-11-9(12)10-3/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyMYIGFDPNUYYQLJ-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.29
Rot. Bonds4

About N-methyl-1-pentan-3-ylimidazol-2-amine

N-methyl-1-pentan-3-ylimidazol-2-amine (PubChem CID 106555013) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-1-pentan-3-ylimidazol-2-amine.

Molecular Properties

Compound NameN-methyl-1-pentan-3-ylimidazol-2-amine
PubChem CID106555013
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-methyl-1-pentan-3-ylimidazol-2-amine
SMILESCCC(CC)n1ccnc1NC
InChIInChI=1S/C9H17N3/c1-4-8(5-2)12-7-6-11-9(12)10-3/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyMYIGFDPNUYYQLJ-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-pentan-3-ylimidazol-2-amine
CID 106555020
N-ethyl-1-(1-methoxybutan-2-yl)imidazol-2-amine
CID 106574719
N-methyl-1-octan-2-ylimidazol-2-amine
CID 106564926
1-hexan-3-ylimidazol-2-amine
CID 106569829
1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106573986
2-(2-methylimidazol-1-yl)-N-propylbutan-1-amine
CID 62446855
1-methyl-N-pentan-3-ylimidazol-2-amine
CID 62132399
1-N,2-N-dimethylimidazole-1,2-diamine
CID 122672176
1-pentan-2-yl-N-propan-2-ylimidazol-2-amine
CID 106555812
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine
CID 106555846
1-[1-(dimethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106578657

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pentan-3-ylimidazol-2-amine?
The IUPAC name of N-methyl-1-pentan-3-ylimidazol-2-amine (CID 106555013) is N-methyl-1-pentan-3-ylimidazol-2-amine.
What is the SMILES notation for N-methyl-1-pentan-3-ylimidazol-2-amine?
The canonical SMILES for N-methyl-1-pentan-3-ylimidazol-2-amine is CCC(CC)n1ccnc1NC.
What is the InChIKey of N-methyl-1-pentan-3-ylimidazol-2-amine?
The InChIKey is MYIGFDPNUYYQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-8(5-2)12-7-6-11-9(12)10-3/h6-8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-methyl-1-pentan-3-ylimidazol-2-amine?
N-methyl-1-pentan-3-ylimidazol-2-amine has a molecular weight of 167.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pentan-3-ylimidazol-2-amine is sourced from PubChem (CID 106555013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).