(E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine

C13H27N3 — CID 163698402

IUPAC(E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine
SMILESC=C(C)CC(NN)C(CC/C=C/C)[C@@H](C)N
InChIInChI=1S/C13H27N3/c1-5-6-7-8-12(11(4)14)13(16-15)9-10(2)3/h5-6,11-13,16H,2,7-9,14-15H2,1,3-4H3/b6-5+/t11-,12?,13?/m1/s1
InChIKeyJYWBFBXSZPWTRL-RNOXMHCWSA-N
MW225.38 g/mol
LogP2.10
Rot. Bonds8

About (E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine

(E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine (PubChem CID 163698402) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is (E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine.

Molecular Properties

Compound Name(E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine
PubChem CID163698402
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name(E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine
SMILESC=C(C)CC(NN)C(CC/C=C/C)[C@@H](C)N
InChIInChI=1S/C13H27N3/c1-5-6-7-8-12(11(4)14)13(16-15)9-10(2)3/h5-6,11-13,16H,2,7-9,14-15H2,1,3-4H3/b6-5+/t11-,12?,13?/m1/s1
InChIKeyJYWBFBXSZPWTRL-RNOXMHCWSA-N
XLogP2.10
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[(E)-9-fluoro-2,4-dimethylundec-4-enyl]hydrazine
CID 134239933
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CID 167079783
[1-(4,4-Difluorocyclohexyl)-3-methylbut-2-enyl]hydrazine
CID 105319872
3-Cyclohex-2-en-1-yl-4-methylpyrazolidine
CID 58552249
[2,4-Dimethyl-3-(2-methylprop-1-enyl)cyclobutyl]hydrazine
CID 67559784
(2,5-Dimethyl-3-propan-2-ylhex-4-enyl)hydrazine
CID 88283373
[4-Methyl-4-(2-methylprop-1-enyl)octan-2-yl]hydrazine
CID 91547859
5-Ethylhept-1-en-4-ylhydrazine
CID 105269571
4-[(2-Aminohydrazinyl)methyl]-3-methylcyclohexene
CID 121451421
1,1-dimethyl-2-[(4E)-7-pentylcyclooct-4-en-1-yl]hydrazine
CID 134266582
4-[(E)-but-2-en-2-yl]-3-ethyl-5-methylpyrazolidine
CID 134391064
(5,6-Dimethylcyclohepta-2,4-dien-1-yl)hydrazine
CID 135190237

Frequently Asked Questions

What is the IUPAC name of (E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine?
The IUPAC name of (E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine (CID 163698402) is (E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine.
What is the SMILES notation for (E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine?
The canonical SMILES for (E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine is C=C(C)CC(NN)C(CC/C=C/C)[C@@H](C)N.
What is the InChIKey of (E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine?
The InChIKey is JYWBFBXSZPWTRL-RNOXMHCWSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-6-7-8-12(11(4)14)13(16-15)9-10(2)3/h5-6,11-13,16H,2,7-9,14-15H2,1,3-4H3/b6-5+/t11-,12?,13?/m1/s1.
What are the key properties of (E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine?
(E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-3-(1-hydrazinyl-3-methylbut-3-enyl)oct-6-en-2-amine is sourced from PubChem (CID 163698402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).