[(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium

C12H25N2+ — CID 134943094

IUPAC[(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium
SMILESC=C(C)N[C@H]1CCCCC1[NH2+]CCC
InChIInChI=1S/C12H24N2/c1-4-9-13-11-7-5-6-8-12(11)14-10(2)3/h11-14H,2,4-9H2,1,3H3/p+1/t11?,12-/m0/s1
InChIKeyFHDDDPZBBLWBDR-KIYNQFGBSA-O
MW197.35 g/mol
LogP1.39
Rot. Bonds5

About [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium

[(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium (PubChem CID 134943094) has the molecular formula C12H25N2+ and a molecular weight of 197.35 g/mol. Its IUPAC name is [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium.

Molecular Properties

Compound Name[(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium
PubChem CID134943094
Molecular FormulaC12H25N2+
Molecular Weight197.35 g/mol
Exact Mass197.20
IUPAC Name[(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium
SMILESC=C(C)N[C@H]1CCCCC1[NH2+]CCC
InChIInChI=1S/C12H24N2/c1-4-9-13-11-7-5-6-8-12(11)14-10(2)3/h11-14H,2,4-9H2,1,3H3/p+1/t11?,12-/m0/s1
InChIKeyFHDDDPZBBLWBDR-KIYNQFGBSA-O
XLogP1.39
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium?
The IUPAC name of [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium (CID 134943094) is [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium.
What is the SMILES notation for [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium?
The canonical SMILES for [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium is C=C(C)N[C@H]1CCCCC1[NH2+]CCC.
What is the InChIKey of [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium?
The InChIKey is FHDDDPZBBLWBDR-KIYNQFGBSA-O. The full InChI is InChI=1S/C12H24N2/c1-4-9-13-11-7-5-6-8-12(11)14-10(2)3/h11-14H,2,4-9H2,1,3H3/p+1/t11?,12-/m0/s1.
What are the key properties of [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium?
[(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium has a molecular weight of 197.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium is sourced from PubChem (CID 134943094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).