2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine

C13H26N2O — CID 64920173

IUPAC2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine
SMILESCCC(CN)(C1CC1)N1CCOCC1(C)C
InChIInChI=1S/C13H26N2O/c1-4-13(9-14,11-5-6-11)15-7-8-16-10-12(15,2)3/h11H,4-10,14H2,1-3H3
InChIKeySWVDPCCZNVBNFX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds4

About 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine

2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine (PubChem CID 64920173) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine
PubChem CID64920173
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine
SMILESCCC(CN)(C1CC1)N1CCOCC1(C)C
InChIInChI=1S/C13H26N2O/c1-4-13(9-14,11-5-6-11)15-7-8-16-10-12(15,2)3/h11H,4-10,14H2,1-3H3
InChIKeySWVDPCCZNVBNFX-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine?
The IUPAC name of 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine (CID 64920173) is 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine is CCC(CN)(C1CC1)N1CCOCC1(C)C.
What is the InChIKey of 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine?
The InChIKey is SWVDPCCZNVBNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(9-14,11-5-6-11)15-7-8-16-10-12(15,2)3/h11H,4-10,14H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine?
2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine is sourced from PubChem (CID 64920173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).