N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine

C12H25NO — CID 65166448

IUPACN,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine
SMILESCNCC(C)(C)CCCC1CCCO1
InChIInChI=1S/C12H25NO/c1-12(2,10-13-3)8-4-6-11-7-5-9-14-11/h11,13H,4-10H2,1-3H3
InChIKeyDSKFYMFEODHWTI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine

N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine (PubChem CID 65166448) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine
PubChem CID65166448
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine
SMILESCNCC(C)(C)CCCC1CCCO1
InChIInChI=1S/C12H25NO/c1-12(2,10-13-3)8-4-6-11-7-5-9-14-11/h11,13H,4-10H2,1-3H3
InChIKeyDSKFYMFEODHWTI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
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
3-Fluoro-3-[3-(oxolan-2-yl)propyl]azetidine
CID 112563337
2-Tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
CID 112566438
N-ethyl-2-methyl-4-(oxolan-2-yl)butan-2-amine
CID 91054537
(6S)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine
CID 118887784
(6R)-N-(2,2-dimethylpropyl)-6-methoxy-10,10-dimethylundecan-1-amine
CID 118887785
3-[3-(2,2-dimethylpropyl)oxolan-3-yl]-N-methylpropan-1-amine
CID 123547910
2-(methoxymethyl)-N,2-dimethyloctan-1-amine
CID 139927614
2-(methoxymethyl)-N,2-dimethyldecan-1-amine
CID 139968840
N-methyl-1-(2-oxaspiro[4.5]decan-8-yl)methanamine
CID 153339557
(2S)-2-tert-butyl-4-[2-methyl-2-[(2S)-oxolan-2-yl]propyl]azetidine
CID 156142266
3-[2,5-Dimethyl-5-(oxolan-2-yl)hexan-2-yl]pyrrolidine
CID 169561776

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine (CID 65166448) is N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine is CNCC(C)(C)CCCC1CCCO1.
What is the InChIKey of N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine?
The InChIKey is DSKFYMFEODHWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,10-13-3)8-4-6-11-7-5-9-14-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine?
N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-(oxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 65166448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).