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

C11H23NO — CID 62725528

IUPACN-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCNCC(C)(C)CC1CCCO1
InChIInChI=1S/C11H23NO/c1-4-12-9-11(2,3)8-10-6-5-7-13-10/h10,12H,4-9H2,1-3H3
InChIKeyBPSIFVNVDZPLIB-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

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

N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 62725528) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID62725528
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCNCC(C)(C)CC1CCCO1
InChIInChI=1S/C11H23NO/c1-4-12-9-11(2,3)8-10-6-5-7-13-10/h10,12H,4-9H2,1-3H3
InChIKeyBPSIFVNVDZPLIB-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl(3-(oxolan-2-yl)propyl)amine
CID 12700136
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
2-methyl-3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899380
5-(2,2-dimethylpropyl)-N-methyloxolan-3-amine
CID 58279920
N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 62550199
3-(oxolan-2-yl)-N-propan-2-ylpropan-1-amine
CID 62550201
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
(4R)-N-(2,2-dimethylpropyl)-4-methoxy-8,8-dimethylnonan-1-amine
CID 118887640

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine (CID 62725528) is N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine is CCNCC(C)(C)CC1CCCO1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is BPSIFVNVDZPLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-12-9-11(2,3)8-10-6-5-7-13-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine?
N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 62725528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).