N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine

C10H20N4 — CID 66150137

IUPACN-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCn1cncc1CN
InChIInChI=1S/C10H20N4/c1-9(2)13(3)4-5-14-8-12-7-10(14)6-11/h7-9H,4-6,11H2,1-3H3
InChIKeyGLIYNKPSEGVHQX-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.68
Rot. Bonds5

About N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine

N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine (PubChem CID 66150137) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
PubChem CID66150137
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCn1cncc1CN
InChIInChI=1S/C10H20N4/c1-9(2)13(3)4-5-14-8-12-7-10(14)6-11/h7-9H,4-6,11H2,1-3H3
InChIKeyGLIYNKPSEGVHQX-UHFFFAOYSA-N
XLogP0.68
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66150121
[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine
CID 106009318
N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 114705602
[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
[3-(2-methoxypropyl)imidazol-4-yl]methanamine
CID 102701711
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637916
N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine
CID 114707540
2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146106

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine (CID 66150137) is N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCn1cncc1CN.
What is the InChIKey of N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine?
The InChIKey is GLIYNKPSEGVHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(2)13(3)4-5-14-8-12-7-10(14)6-11/h7-9H,4-6,11H2,1-3H3.
What are the key properties of N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine?
N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 66150137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).