N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine

C11H23NO — CID 22975536

IUPACN-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CCCO1)C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)12(10(3)4)8-11-6-5-7-13-11/h9-11H,5-8H2,1-4H3
InChIKeyHHBMEFAPOUPTFF-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.28
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine

N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 22975536) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
PubChem CID22975536
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CCCO1)C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)12(10(3)4)8-11-6-5-7-13-11/h9-11H,5-8H2,1-4H3
InChIKeyHHBMEFAPOUPTFF-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 63388013
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine
CID 162765999
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 55087661
N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43403677
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylthiourea
CID 115594187
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine (CID 22975536) is N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(CC1CCCO1)C(C)C.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is HHBMEFAPOUPTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)12(10(3)4)8-11-6-5-7-13-11/h9-11H,5-8H2,1-4H3.
What are the key properties of N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 22975536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).