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

C14H29N3 — CID 135138006

IUPACtrans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
SMILESC=C1CCC[C@@H](N(C)CC(C)C)[C@H]1CCNN
InChIInChI=1S/C14H29N3/c1-11(2)10-17(4)14-7-5-6-12(3)13(14)8-9-16-15/h11,13-14,16H,3,5-10,15H2,1-2,4H3/t13-,14+/m0/s1
InChIKeyKQTVMVUYQSZFQX-UONOGXRCSA-N
MW239.41 g/mol
LogP2.15
Rot. Bonds6

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

trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 135138006) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID135138006
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Nametrans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
SMILESC=C1CCC[C@@H](N(C)CC(C)C)[C@H]1CCNN
InChIInChI=1S/C14H29N3/c1-11(2)10-17(4)14-7-5-6-12(3)13(14)8-9-16-15/h11,13-14,16H,3,5-10,15H2,1-2,4H3/t13-,14+/m0/s1
InChIKeyKQTVMVUYQSZFQX-UONOGXRCSA-N
XLogP2.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine (CID 135138006) is trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine is C=C1CCC[C@@H](N(C)CC(C)C)[C@H]1CCNN.
What is the InChIKey of trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is KQTVMVUYQSZFQX-UONOGXRCSA-N. The full InChI is InChI=1S/C14H29N3/c1-11(2)10-17(4)14-7-5-6-12(3)13(14)8-9-16-15/h11,13-14,16H,3,5-10,15H2,1-2,4H3/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine?
trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(2-hydrazinylethyl)-N-methyl-3-methylidene-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 135138006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).