N-butan-2-yloxybutan-2-amine;hydrochloride

C8H20ClNO — CID 22415902

IUPACN-butan-2-yloxybutan-2-amine;hydrochloride
SMILESCCC(C)NOC(C)CC.Cl
InChIInChI=1S/C8H19NO.ClH/c1-5-7(3)9-10-8(4)6-2;/h7-9H,5-6H2,1-4H3;1H
InChIKeyZXMCSPNSMDWVDY-UHFFFAOYSA-N
MW181.71 g/mol
LogP2.53
Rot. Bonds5

About N-butan-2-yloxybutan-2-amine;hydrochloride

N-butan-2-yloxybutan-2-amine;hydrochloride (PubChem CID 22415902) has the molecular formula C8H20ClNO and a molecular weight of 181.71 g/mol. Its IUPAC name is N-butan-2-yloxybutan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yloxybutan-2-amine;hydrochloride
PubChem CID22415902
Molecular FormulaC8H20ClNO
Molecular Weight181.71 g/mol
Exact Mass181.12
IUPAC NameN-butan-2-yloxybutan-2-amine;hydrochloride
SMILESCCC(C)NOC(C)CC.Cl
InChIInChI=1S/C8H19NO.ClH/c1-5-7(3)9-10-8(4)6-2;/h7-9H,5-6H2,1-4H3;1H
InChIKeyZXMCSPNSMDWVDY-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.71
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butan-2-yloxybutan-2-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yloxybutan-2-amine;hydrochloride?
The IUPAC name of N-butan-2-yloxybutan-2-amine;hydrochloride (CID 22415902) is N-butan-2-yloxybutan-2-amine;hydrochloride.
What is the SMILES notation for N-butan-2-yloxybutan-2-amine;hydrochloride?
The canonical SMILES for N-butan-2-yloxybutan-2-amine;hydrochloride is CCC(C)NOC(C)CC.Cl.
What is the InChIKey of N-butan-2-yloxybutan-2-amine;hydrochloride?
The InChIKey is ZXMCSPNSMDWVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.ClH/c1-5-7(3)9-10-8(4)6-2;/h7-9H,5-6H2,1-4H3;1H.
What are the key properties of N-butan-2-yloxybutan-2-amine;hydrochloride?
N-butan-2-yloxybutan-2-amine;hydrochloride has a molecular weight of 181.71 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yloxybutan-2-amine;hydrochloride is sourced from PubChem (CID 22415902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).