3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine

C18H40N2O — CID 57255139

IUPAC3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine
SMILESCC(CCNC(C)C)CCOCCC(C)CCNC(C)C
InChIInChI=1S/C18H40N2O/c1-15(2)19-11-7-17(5)9-13-21-14-10-18(6)8-12-20-16(3)4/h15-20H,7-14H2,1-6H3
InChIKeyOJZKQJKQRUYXEU-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.83
Rot. Bonds14

About 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine

3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine (PubChem CID 57255139) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine
PubChem CID57255139
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine
SMILESCC(CCNC(C)C)CCOCCC(C)CCNC(C)C
InChIInChI=1S/C18H40N2O/c1-15(2)19-11-7-17(5)9-13-21-14-10-18(6)8-12-20-16(3)4/h15-20H,7-14H2,1-6H3
InChIKeyOJZKQJKQRUYXEU-UHFFFAOYSA-N
XLogP3.83
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-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 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine (CID 57255139) is 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine is CC(CCNC(C)C)CCOCCC(C)CCNC(C)C.
What is the InChIKey of 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine?
The InChIKey is OJZKQJKQRUYXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-15(2)19-11-7-17(5)9-13-21-14-10-18(6)8-12-20-16(3)4/h15-20H,7-14H2,1-6H3.
What are the key properties of 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine?
3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine has a molecular weight of 300.53 g/mol, XLogP of 3.83, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-methyl-5-(propan-2-ylamino)pentoxy]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 57255139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).