(5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C17H33N3 — CID 25102558

IUPAC(5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(N(C)C)N1CC1CCCCCC1
InChIInChI=1S/C17H33N3/c1-14(2)11-16-12-18-17(19(3)4)20(16)13-15-9-7-5-6-8-10-15/h14-16H,5-13H2,1-4H3/t16-/m0/s1
InChIKeyWYXDCBMROGEPIZ-INIZCTEOSA-N
MW279.47 g/mol
LogP3.60
Rot. Bonds4

About (5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

(5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 25102558) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is (5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID25102558
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name(5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)C[C@H]1CN=C(N(C)C)N1CC1CCCCCC1
InChIInChI=1S/C17H33N3/c1-14(2)11-16-12-18-17(19(3)4)20(16)13-15-9-7-5-6-8-10-15/h14-16H,5-13H2,1-4H3/t16-/m0/s1
InChIKeyWYXDCBMROGEPIZ-INIZCTEOSA-N
XLogP3.60
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 25102558) is (5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is CC(C)C[C@H]1CN=C(N(C)C)N1CC1CCCCCC1.
What is the InChIKey of (5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is WYXDCBMROGEPIZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H33N3/c1-14(2)11-16-12-18-17(19(3)4)20(16)13-15-9-7-5-6-8-10-15/h14-16H,5-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
(5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 279.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(cycloheptylmethyl)-N,N-dimethyl-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).