4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine

C20H45N3O2 — CID 88931628

IUPAC4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine
SMILESCC(C)(N)CCOCCC(C)(C)NC(C)(C)CCOCCC(C)(C)N
InChIInChI=1S/C20H45N3O2/c1-17(2,21)9-13-24-15-11-19(5,6)23-20(7,8)12-16-25-14-10-18(3,4)22/h23H,9-16,21-22H2,1-8H3
InChIKeyQTDXIQOEBGSBET-UHFFFAOYSA-N
MW359.60 g/mol
LogP3.20
Rot. Bonds14

About 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine

4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine (PubChem CID 88931628) has the molecular formula C20H45N3O2 and a molecular weight of 359.60 g/mol. Its IUPAC name is 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine
PubChem CID88931628
Molecular FormulaC20H45N3O2
Molecular Weight359.60 g/mol
Exact Mass359.35
IUPAC Name4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine
SMILESCC(C)(N)CCOCCC(C)(C)NC(C)(C)CCOCCC(C)(C)N
InChIInChI=1S/C20H45N3O2/c1-17(2,21)9-13-24-15-11-19(5,6)23-20(7,8)12-16-25-14-10-18(3,4)22/h23H,9-16,21-22H2,1-8H3
InChIKeyQTDXIQOEBGSBET-UHFFFAOYSA-N
XLogP3.20
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine 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 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine?
The IUPAC name of 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine (CID 88931628) is 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine?
The canonical SMILES for 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine is CC(C)(N)CCOCCC(C)(C)NC(C)(C)CCOCCC(C)(C)N.
What is the InChIKey of 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine?
The InChIKey is QTDXIQOEBGSBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N3O2/c1-17(2,21)9-13-24-15-11-19(5,6)23-20(7,8)12-16-25-14-10-18(3,4)22/h23H,9-16,21-22H2,1-8H3.
What are the key properties of 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine?
4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine has a molecular weight of 359.60 g/mol, XLogP of 3.20, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(3-amino-3-methylbutoxy)-2-methylbutan-2-yl]amino]-3-methylbutoxy]-2-methylbutan-2-amine is sourced from PubChem (CID 88931628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).