trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine

C15H29N3 — CID 142374960

IUPACtrans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESC=C=C1CCC[C@@H](N(C)CC(C)C)[C@H]1CCNN
InChIInChI=1S/C15H29N3/c1-5-13-7-6-8-15(14(13)9-10-17-16)18(4)11-12(2)3/h12,14-15,17H,1,6-11,16H2,2-4H3/t14-,15+/m0/s1
InChIKeyYTNJASASSSBSHB-LSDHHAIUSA-N
MW251.42 g/mol
LogP2.31
Rot. Bonds6

About trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine

trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 142374960) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID142374960
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Nametrans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESC=C=C1CCC[C@@H](N(C)CC(C)C)[C@H]1CCNN
InChIInChI=1S/C15H29N3/c1-5-13-7-6-8-15(14(13)9-10-17-16)18(4)11-12(2)3/h12,14-15,17H,1,6-11,16H2,2-4H3/t14-,15+/m0/s1
InChIKeyYTNJASASSSBSHB-LSDHHAIUSA-N
XLogP2.31
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine (CID 142374960) is trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine is C=C=C1CCC[C@@H](N(C)CC(C)C)[C@H]1CCNN.
What is the InChIKey of trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is YTNJASASSSBSHB-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-13-7-6-8-15(14(13)9-10-17-16)18(4)11-12(2)3/h12,14-15,17H,1,6-11,16H2,2-4H3/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-3-ethenylidene-2-(2-hydrazinylethyl)-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 142374960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).