(2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine

C12H24N2 — CID 134943095

IUPAC(2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine
SMILESC=C(C)N[C@H]1CCCCC1NCCC
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/t11?,12-/m0/s1
InChIKeyFHDDDPZBBLWBDR-KIYNQFGBSA-N
MW196.34 g/mol
LogP2.42
Rot. Bonds5

About (2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine

(2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 134943095) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine
PubChem CID134943095
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine
SMILESC=C(C)N[C@H]1CCCCC1NCCC
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/t11?,12-/m0/s1
InChIKeyFHDDDPZBBLWBDR-KIYNQFGBSA-N
XLogP2.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of (2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine (CID 134943095) is (2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for (2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine is C=C(C)N[C@H]1CCCCC1NCCC.
What is the InChIKey of (2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is FHDDDPZBBLWBDR-KIYNQFGBSA-N. 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/t11?,12-/m0/s1.
What are the key properties of (2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine?
(2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-prop-1-en-2-yl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 134943095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).