3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine

C13H28N2O — CID 21027152

IUPAC3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine
SMILESCC(C)(C)CCNCCCN1CCOCC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)5-7-14-6-4-8-15-9-11-16-12-10-15/h14H,4-12H2,1-3H3
InChIKeyRYXUWSZLPULFPK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine

3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine (PubChem CID 21027152) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine
PubChem CID21027152
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine
SMILESCC(C)(C)CCNCCCN1CCOCC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)5-7-14-6-4-8-15-9-11-16-12-10-15/h14H,4-12H2,1-3H3
InChIKeyRYXUWSZLPULFPK-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-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

4-[(Pyrrolidin-3-yl)methyl]morpholine
CID 14627371
Isobutyl-(3-morpholin-4-yl-propyl)-amine
CID 3151942
Butyl-(3-morpholin-4-yl-propyl)-amine
CID 3151943
4-(Morpholin-4-yl)butan-2-amine
CID 16767299
2-Methyl-3-(morpholin-4-yl)propan-1-amine
CID 17609127
3-(Morpholin-4-yl)butan-1-amine
CID 20069556
1-[1-(4-Morpholinylmethyl)cyclopropyl]methanamine
CID 28064634
(3S)-3-tert-Butylmorpholine
CID 53338726
[2,2-Dimethyl-3-(morpholin-4-yl)propyl](methyl)amine
CID 62261863
2-Tert-butyl-2-methylmorpholine
CID 84021094
4-{[(3R)-pyrrolidin-3-yl]methyl}morpholine
CID 86311657
4-{[(3S)-pyrrolidin-3-yl]methyl}morpholine
CID 86311659

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine (CID 21027152) is 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine is CC(C)(C)CCNCCCN1CCOCC1.
What is the InChIKey of 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine?
The InChIKey is RYXUWSZLPULFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)5-7-14-6-4-8-15-9-11-16-12-10-15/h14H,4-12H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine?
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butan-1-amine is sourced from PubChem (CID 21027152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).