1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine

C14H27N3 — CID 79521413

IUPAC1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
SMILESCCC(C)CC1(CC)CN=C(N)N1CC1CC1
InChIInChI=1S/C14H27N3/c1-4-11(3)8-14(5-2)10-16-13(15)17(14)9-12-6-7-12/h11-12H,4-10H2,1-3H3,(H2,15,16)
InChIKeyJFRRFEAKPCRBQF-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.61
Rot. Bonds6

About 1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine

1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine (PubChem CID 79521413) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
PubChem CID79521413
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
SMILESCCC(C)CC1(CC)CN=C(N)N1CC1CC1
InChIInChI=1S/C14H27N3/c1-4-11(3)8-14(5-2)10-16-13(15)17(14)9-12-6-7-12/h11-12H,4-10H2,1-3H3,(H2,15,16)
InChIKeyJFRRFEAKPCRBQF-UHFFFAOYSA-N
XLogP2.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
CID 79521031
1-cyclopropyl-5,5-diethyl-4H-imidazol-2-amine
CID 79509325
1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
CID 79514410
1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine
CID 79520804
1-(cyclopropylmethyl)-6-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 114510771
1-(cyclopropylmethyl)-5-(2-methoxy-2-methylpropyl)-5-methyl-4H-imidazol-2-amine
CID 79521417
1-butan-2-yl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
CID 79505096
1-cyclopropyl-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
CID 79510430
5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 79521849
5-ethyl-5-(methoxymethyl)-1-propyl-4H-imidazol-2-amine
CID 79510638
1-(cyclopropylmethyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine
CID 79521666
5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79504816

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine (CID 79521413) is 1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine is CCC(C)CC1(CC)CN=C(N)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine?
The InChIKey is JFRRFEAKPCRBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-11(3)8-14(5-2)10-16-13(15)17(14)9-12-6-7-12/h11-12H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of 1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine?
1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79521413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).