(4S)-1-N-propan-2-ylcyclohexene-1,4-diamine

C9H18N2 — CID 135231772

IUPAC(4S)-1-N-propan-2-ylcyclohexene-1,4-diamine
SMILESCC(C)NC1=CC[C@@H](N)CC1
InChIInChI=1S/C9H18N2/c1-7(2)11-9-5-3-8(10)4-6-9/h5,7-8,11H,3-4,6,10H2,1-2H3/t8-/m1/s1
InChIKeyICLUUMOCEZQKLY-MRVPVSSYSA-N
MW154.26 g/mol
LogP1.38
Rot. Bonds2

About (4S)-1-N-propan-2-ylcyclohexene-1,4-diamine

(4S)-1-N-propan-2-ylcyclohexene-1,4-diamine (PubChem CID 135231772) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (4S)-1-N-propan-2-ylcyclohexene-1,4-diamine.

Molecular Properties

Compound Name(4S)-1-N-propan-2-ylcyclohexene-1,4-diamine
PubChem CID135231772
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(4S)-1-N-propan-2-ylcyclohexene-1,4-diamine
SMILESCC(C)NC1=CC[C@@H](N)CC1
InChIInChI=1S/C9H18N2/c1-7(2)11-9-5-3-8(10)4-6-9/h5,7-8,11H,3-4,6,10H2,1-2H3/t8-/m1/s1
InChIKeyICLUUMOCEZQKLY-MRVPVSSYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-N-propan-2-ylcyclohexene-1,4-diamine?
The IUPAC name of (4S)-1-N-propan-2-ylcyclohexene-1,4-diamine (CID 135231772) is (4S)-1-N-propan-2-ylcyclohexene-1,4-diamine.
What is the SMILES notation for (4S)-1-N-propan-2-ylcyclohexene-1,4-diamine?
The canonical SMILES for (4S)-1-N-propan-2-ylcyclohexene-1,4-diamine is CC(C)NC1=CC[C@@H](N)CC1.
What is the InChIKey of (4S)-1-N-propan-2-ylcyclohexene-1,4-diamine?
The InChIKey is ICLUUMOCEZQKLY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-9-5-3-8(10)4-6-9/h5,7-8,11H,3-4,6,10H2,1-2H3/t8-/m1/s1.
What are the key properties of (4S)-1-N-propan-2-ylcyclohexene-1,4-diamine?
(4S)-1-N-propan-2-ylcyclohexene-1,4-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-N-propan-2-ylcyclohexene-1,4-diamine is sourced from PubChem (CID 135231772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).