3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine

C14H30N2O — CID 86804297

IUPAC3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine
SMILESCC(NCCC(C)(C)C)C(C)N1CCOCC1
InChIInChI=1S/C14H30N2O/c1-12(15-7-6-14(3,4)5)13(2)16-8-10-17-11-9-16/h12-13,15H,6-11H2,1-5H3
InChIKeyGUVFXDHNVQQVDS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds5

About 3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine

3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine (PubChem CID 86804297) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine
PubChem CID86804297
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine
SMILESCC(NCCC(C)(C)C)C(C)N1CCOCC1
InChIInChI=1S/C14H30N2O/c1-12(15-7-6-14(3,4)5)13(2)16-8-10-17-11-9-16/h12-13,15H,6-11H2,1-5H3
InChIKeyGUVFXDHNVQQVDS-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholineethanamine, alpha-methyl-
CID 170951
3-Ethyl-2-(morpholin-4-yl)pentan-1-amine
CID 16228000
3-Methyl-2-(morpholin-4-yl)butan-1-amine
CID 16227933
N,N-Dimethyl-3-morpholinemethanamine
CID 18915134
rac-(2R,6S)-1-(2-methoxyethyl)-2,6-dimethylpiperazine
CID 51623023
(3S)-3-tert-Butylmorpholine
CID 53338726
Methyl[2-methyl-1-(morpholin-4-yl)propan-2-yl]amine
CID 59535411
Methyl[1-(morpholin-4-yl)propan-2-yl]amine
CID 61501008
Morpholine, 4-(4-methyl-3-pyrrolidinyl)-
CID 73994640
2-Methyl-2-(morpholin-4-yl)butan-1-amine
CID 11959095
3,3-Dimethyl-1-(morpholin-4-yl)butan-2-amine
CID 16788911
2-(3-Methylmorpholin-4-yl)propan-1-amine
CID 43541860

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine (CID 86804297) is 3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine is CC(NCCC(C)(C)C)C(C)N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine?
The InChIKey is GUVFXDHNVQQVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(15-7-6-14(3,4)5)13(2)16-8-10-17-11-9-16/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine?
3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 5 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-ylbutan-2-yl)butan-1-amine is sourced from PubChem (CID 86804297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).