(Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine

C9H20N2 — CID 174281685

IUPAC(Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine
SMILESCCC(/C=C(/C)NC)[C@H](C)N
InChIInChI=1S/C9H20N2/c1-5-9(8(3)10)6-7(2)11-4/h6,8-9,11H,5,10H2,1-4H3/b7-6-/t8-,9?/m0/s1
InChIKeyYAPFWWRMWVSZEP-JPVSOYJMSA-N
MW156.27 g/mol
LogP1.48
Rot. Bonds4

About (Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine

(Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine (PubChem CID 174281685) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine.

Molecular Properties

Compound Name(Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine
PubChem CID174281685
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine
SMILESCCC(/C=C(/C)NC)[C@H](C)N
InChIInChI=1S/C9H20N2/c1-5-9(8(3)10)6-7(2)11-4/h6,8-9,11H,5,10H2,1-4H3/b7-6-/t8-,9?/m0/s1
InChIKeyYAPFWWRMWVSZEP-JPVSOYJMSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(NE)-N-[(Z)-3-amino-5-(methylamino)hex-4-en-2-ylidene]hydroxylamine
CID 172961329
(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine
CID 166865760
(E)-4-methyl-N-propan-2-ylhex-2-en-2-amine
CID 166949903
(4S)-4-ethyl-2,5-dimethylhex-2-ene
CID 59076460
(4R)-2,4-dimethylhex-2-ene
CID 142611901
hydroxylamine;2-methylbutane
CID 175063986
1-aminopropan-1-ol;1-(methylamino)propan-2-ol
CID 87558046
(Z)-1-(aminomethylsulfanyl)-N-methylprop-1-en-2-amine
CID 142988817
(4E)-2-N-methylhepta-2,4-diene-2,5-diamine
CID 174083742
N,2,5-trimethylhept-2-en-3-amine
CID 177136361
(E)-3-fluoro-5-methylhept-3-en-2-amine
CID 167092327
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557

Frequently Asked Questions

What is the IUPAC name of (Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine?
The IUPAC name of (Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine (CID 174281685) is (Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine.
What is the SMILES notation for (Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine?
The canonical SMILES for (Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine is CCC(/C=C(/C)NC)[C@H](C)N.
What is the InChIKey of (Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine?
The InChIKey is YAPFWWRMWVSZEP-JPVSOYJMSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-9(8(3)10)6-7(2)11-4/h6,8-9,11H,5,10H2,1-4H3/b7-6-/t8-,9?/m0/s1.
What are the key properties of (Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine?
(Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine is sourced from PubChem (CID 174281685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).