N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine

C11H25NO — CID 62453800

IUPACN-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
SMILESCCC(C)OCCCNCC(C)C
InChIInChI=1S/C11H25NO/c1-5-11(4)13-8-6-7-12-9-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyJRECSEKBFSAXTK-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds8

About N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine

N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine (PubChem CID 62453800) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
PubChem CID62453800
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
SMILESCCC(C)OCCCNCC(C)C
InChIInChI=1S/C11H25NO/c1-5-11(4)13-8-6-7-12-9-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyJRECSEKBFSAXTK-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-butan-2-yloxypropyl)-2-methylpropan-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

Related Compounds

3-butan-2-yloxy-N-propylpropan-1-amine
CID 62453797
N-(2-butan-2-yloxyethyl)-3-ethoxypropan-1-amine
CID 62583430
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 115002619
3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine
CID 115001737
N-(2-methylpropyl)-4-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82793365
N-(2-hexoxypropyl)butan-1-amine
CID 62599346
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N-(2-propoxypropyl)butan-1-amine
CID 62583755
N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
CID 106450242
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine?
The IUPAC name of N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine (CID 62453800) is N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine is CCC(C)OCCCNCC(C)C.
What is the InChIKey of N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine?
The InChIKey is JRECSEKBFSAXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-11(4)13-8-6-7-12-9-10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine?
N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 62453800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).