ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine

C13H29NO — CID 156714058

IUPACethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC.CN(CC1CCCO1)CC(C)(C)C
InChIInChI=1S/C11H23NO.C2H6/c1-11(2,3)9-12(4)8-10-6-5-7-13-10;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyKVXBSOBBSYEVAD-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds3

About ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine

ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 156714058) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Nameethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID156714058
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC.CN(CC1CCCO1)CC(C)(C)C
InChIInChI=1S/C11H23NO.C2H6/c1-11(2,3)9-12(4)8-10-6-5-7-13-10;1-2/h10H,5-9H2,1-4H3;1-2H3
InChIKeyKVXBSOBBSYEVAD-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61435769
N-ethyl-N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62260614
1-N,2,2,3-tetramethyl-1-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 65267291
2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 65015785
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 61431541
ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine
CID 162765999
2-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
2-amino-2-cyclopropyl-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 63911354
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026

Frequently Asked Questions

What is the IUPAC name of ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine (CID 156714058) is ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine is CC.CN(CC1CCCO1)CC(C)(C)C.
What is the InChIKey of ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is KVXBSOBBSYEVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-11(2,3)9-12(4)8-10-6-5-7-13-10;1-2/h10H,5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine?
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 156714058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).