4-propoxybutan-2-ylhydrazine

C7H18N2O — CID 105282576

IUPAC4-propoxybutan-2-ylhydrazine
SMILESCCCOCCC(C)NN
InChIInChI=1S/C7H18N2O/c1-3-5-10-6-4-7(2)9-8/h7,9H,3-6,8H2,1-2H3
InChIKeyMRLDZOFMACLQKB-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.65
Rot. Bonds6

About 4-propoxybutan-2-ylhydrazine

4-propoxybutan-2-ylhydrazine (PubChem CID 105282576) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-propoxybutan-2-ylhydrazine.

Molecular Properties

Compound Name4-propoxybutan-2-ylhydrazine
PubChem CID105282576
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name4-propoxybutan-2-ylhydrazine
SMILESCCCOCCC(C)NN
InChIInChI=1S/C7H18N2O/c1-3-5-10-6-4-7(2)9-8/h7,9H,3-6,8H2,1-2H3
InChIKeyMRLDZOFMACLQKB-UHFFFAOYSA-N
XLogP0.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-1-propoxyheptan-3-yl)hydrazine
CID 105298541
4-propan-2-yloxybutan-2-ylhydrazine
CID 130964571
(1-ethoxy-4-propoxybutan-2-yl)hydrazine
CID 105321228
3-methyl-1-propoxypentane
CID 123388243
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
N,N-dimethyl-4-propoxybutan-2-amine
CID 57318185
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
3-ethoxy-1-propoxybutane
CID 89015567
N,6-dimethyl-1-propoxyheptan-3-amine
CID 105126755
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
N-methyl-1-(2-propoxyethoxy)propan-2-amine
CID 63686556
(1-phenyl-5-propoxypentan-3-yl)hydrazine
CID 105285874

Frequently Asked Questions

What is the IUPAC name of 4-propoxybutan-2-ylhydrazine?
The IUPAC name of 4-propoxybutan-2-ylhydrazine (CID 105282576) is 4-propoxybutan-2-ylhydrazine.
What is the SMILES notation for 4-propoxybutan-2-ylhydrazine?
The canonical SMILES for 4-propoxybutan-2-ylhydrazine is CCCOCCC(C)NN.
What is the InChIKey of 4-propoxybutan-2-ylhydrazine?
The InChIKey is MRLDZOFMACLQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-3-5-10-6-4-7(2)9-8/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 4-propoxybutan-2-ylhydrazine?
4-propoxybutan-2-ylhydrazine has a molecular weight of 146.23 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxybutan-2-ylhydrazine is sourced from PubChem (CID 105282576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).