(5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine

C15H29N3 — CID 25102561

IUPAC(5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N(C)C)N1CCCC1CCCCC1
InChIInChI=1S/C15H29N3/c1-13-12-16-15(17(2)3)18(13)11-7-10-14-8-5-4-6-9-14/h13-14H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyUMHZAQWCXANGHQ-ZDUSSCGKSA-N
MW251.42 g/mol
LogP2.97
Rot. Bonds4

About (5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine

(5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102561) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is (5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
PubChem CID25102561
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N(C)C)N1CCCC1CCCCC1
InChIInChI=1S/C15H29N3/c1-13-12-16-15(17(2)3)18(13)11-7-10-14-8-5-4-6-9-14/h13-14H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyUMHZAQWCXANGHQ-ZDUSSCGKSA-N
XLogP2.97
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine (CID 25102561) is (5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(N(C)C)N1CCCC1CCCCC1.
What is the InChIKey of (5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is UMHZAQWCXANGHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3/c1-13-12-16-15(17(2)3)18(13)11-7-10-14-8-5-4-6-9-14/h13-14H,4-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
(5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 251.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3-cyclohexylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).