2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine

C14H29NO — CID 62724955

IUPAC2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine
SMILESCC(C)CNCC(C)(C)CC1CCOCC1
InChIInChI=1S/C14H29NO/c1-12(2)10-15-11-14(3,4)9-13-5-7-16-8-6-13/h12-13,15H,5-11H2,1-4H3
InChIKeyWSUMKEJSYCCPQX-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds6

About 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine

2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine (PubChem CID 62724955) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine
PubChem CID62724955
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine
SMILESCC(C)CNCC(C)(C)CC1CCOCC1
InChIInChI=1S/C14H29NO/c1-12(2)10-15-11-14(3,4)9-13-5-7-16-8-6-13/h12-13,15H,5-11H2,1-4H3
InChIKeyWSUMKEJSYCCPQX-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-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-(3-Methoxypropyl)piperidine
CID 28063684
N'-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl]-N,N-dimethylpropane-1,3-diamine
CID 3747194
9-Oxa-2-azaspiro(5.5)undecane
CID 21934995
3-(2-Methoxyethyl)piperidine
CID 23152716
2-Oxa-9-azaspiro[5.5]undecane hydrochloride
CID 71743840
9-Oxa-2-azaspiro[5.5]undecane hydrochloride
CID 75485290
3-Oxa-9-azaspiro(5.6)dodecane
CID 82412656
1-(Propan-2-yl)-7-oxa-2-azaspiro[3.5]nonane hydrochloride
CID 121581480
7-(Propan-2-yl)-3-oxa-9-azaspiro(5.5)undecane hydrochloride
CID 146083031
2-Oxa-9-azaspiro[5.5]undecane
CID 21955367
1-(Propan-2-yl)-7-oxa-2-azaspiro[3.5]nonane
CID 121581481
3-(4-Methylpiperidin-4-yl)propyl hypofluorite
CID 172289522

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine (CID 62724955) is 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine is CC(C)CNCC(C)(C)CC1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine?
The InChIKey is WSUMKEJSYCCPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)10-15-11-14(3,4)9-13-5-7-16-8-6-13/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 62724955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).