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

C14H27N3 — CID 25102544

IUPAC(5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N(C)C)N1CCCC1CCCC1
InChIInChI=1S/C14H27N3/c1-12-11-15-14(16(2)3)17(12)10-6-9-13-7-4-5-8-13/h12-13H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyVTHCSIGOXCRGIL-LBPRGKRZSA-N
MW237.39 g/mol
LogP2.58
Rot. Bonds4

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

(5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine (PubChem CID 25102544) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
PubChem CID25102544
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(N(C)C)N1CCCC1CCCC1
InChIInChI=1S/C14H27N3/c1-12-11-15-14(16(2)3)17(12)10-6-9-13-7-4-5-8-13/h12-13H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyVTHCSIGOXCRGIL-LBPRGKRZSA-N
XLogP2.58
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine (CID 25102544) is (5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(N(C)C)N1CCCC1CCCC1.
What is the InChIKey of (5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
The InChIKey is VTHCSIGOXCRGIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3/c1-12-11-15-14(16(2)3)17(12)10-6-9-13-7-4-5-8-13/h12-13H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine?
(5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3-cyclopentylpropyl)-N,N,5-trimethyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).