1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine

C16H30N2 — CID 105232751

IUPAC1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30N2/c1-5-6-7-8-15(18-17)13-9-11-14(12-10-13)16(2,3)4/h13-15,18H,7-12,17H2,1-4H3
InChIKeyMMXROYDUCCLTLC-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.47
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine

1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine (PubChem CID 105232751) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine
PubChem CID105232751
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30N2/c1-5-6-7-8-15(18-17)13-9-11-14(12-10-13)16(2,3)4/h13-15,18H,7-12,17H2,1-4H3
InChIKeyMMXROYDUCCLTLC-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxan-4-yl)hex-4-ynylhydrazine
CID 105229710
[1-(4-tert-butylcyclohexyl)-3-methylbutyl]hydrazine
CID 105232627
1-(6-bicyclo[3.1.0]hexanyl)hex-4-ynylhydrazine
CID 105335051
2-cyclopropyloct-6-yn-3-ylhydrazine
CID 105334946
1-(4-tert-butylcyclohexyl)but-3-enylhydrazine
CID 105232743
1-(4-tert-butylcyclohexyl)oct-7-enylhydrazine
CID 107012511
(1-cyclopropyl-4,4-dimethylpentyl)hydrazine
CID 105202500
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine
CID 104806072
1-(2-bicyclo[2.2.1]heptanyl)hex-4-ynylhydrazine
CID 105266785
1,3-dicyclopentylpropylhydrazine
CID 105282449
1-cyclopropylpentylhydrazine
CID 105202332

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine (CID 105232751) is 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine is CC#CCCC(NN)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine?
The InChIKey is MMXROYDUCCLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-6-7-8-15(18-17)13-9-11-14(12-10-13)16(2,3)4/h13-15,18H,7-12,17H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine?
1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine has a molecular weight of 250.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)hex-4-ynylhydrazine is sourced from PubChem (CID 105232751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).