(2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine

C17H32N2 — CID 89065777

IUPAC(2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine
SMILESC=CC(N)[C@H](CC1CCCCC1)NC(=C)CCCC
InChIInChI=1S/C17H32N2/c1-4-6-10-14(3)19-17(16(18)5-2)13-15-11-8-7-9-12-15/h5,15-17,19H,2-4,6-13,18H2,1H3/t16?,17-/m0/s1
InChIKeyRJTGQXGFQWKIHJ-DJNXLDHESA-N
MW264.46 g/mol
LogP4.13
Rot. Bonds9

About (2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine

(2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine (PubChem CID 89065777) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine
PubChem CID89065777
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine
SMILESC=CC(N)[C@H](CC1CCCCC1)NC(=C)CCCC
InChIInChI=1S/C17H32N2/c1-4-6-10-14(3)19-17(16(18)5-2)13-15-11-8-7-9-12-15/h5,15-17,19H,2-4,6-13,18H2,1H3/t16?,17-/m0/s1
InChIKeyRJTGQXGFQWKIHJ-DJNXLDHESA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine?
The IUPAC name of (2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine (CID 89065777) is (2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine.
What is the SMILES notation for (2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine?
The canonical SMILES for (2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine is C=CC(N)[C@H](CC1CCCCC1)NC(=C)CCCC.
What is the InChIKey of (2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine?
The InChIKey is RJTGQXGFQWKIHJ-DJNXLDHESA-N. The full InChI is InChI=1S/C17H32N2/c1-4-6-10-14(3)19-17(16(18)5-2)13-15-11-8-7-9-12-15/h5,15-17,19H,2-4,6-13,18H2,1H3/t16?,17-/m0/s1.
What are the key properties of (2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine?
(2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine has a molecular weight of 264.46 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine is sourced from PubChem (CID 89065777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).