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

C13H27NO — CID 62725749

IUPAC2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCC(C)CNCC(C)(C)CC1CCCO1
InChIInChI=1S/C13H27NO/c1-11(2)9-14-10-13(3,4)8-12-6-5-7-15-12/h11-12,14H,5-10H2,1-4H3
InChIKeySZUHYZQRZPXXPK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

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

2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 62725749) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID62725749
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCC(C)CNCC(C)(C)CC1CCCO1
InChIInChI=1S/C13H27NO/c1-11(2)9-14-10-13(3,4)8-12-6-5-7-15-12/h11-12,14H,5-10H2,1-4H3
InChIKeySZUHYZQRZPXXPK-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-3-(oxolan-2-yl)propan-1-amine
CID 62740981
2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103139099
3-(5,5-dimethyloxolan-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 113648573
2-methyl-3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899380
3-(5-Hexoxypentyl)pyrrolidine
CID 53671543
N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 62550199
4-(5-Methyloxolan-2-yl)piperidine
CID 82839404
1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine
CID 89099167
N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine
CID 90984420
1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine
CID 91022206
N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine
CID 91029644
N-ethyl-2-methyl-4-(oxolan-2-yl)butan-2-amine
CID 91054537

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine (CID 62725749) is 2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine is CC(C)CNCC(C)(C)CC1CCCO1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is SZUHYZQRZPXXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)9-14-10-13(3,4)8-12-6-5-7-15-12/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 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-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 62725749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).