N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine

C11H23NO — CID 62549646

IUPACN,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
SMILESCNC(CCC1CCCO1)C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)11(12-3)7-6-10-5-4-8-13-10/h9-12H,4-8H2,1-3H3
InChIKeyZNAUQGDQWGANJB-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine

N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine (PubChem CID 62549646) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
PubChem CID62549646
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
SMILESCNC(CCC1CCCO1)C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)11(12-3)7-6-10-5-4-8-13-10/h9-12H,4-8H2,1-3H3
InChIKeyZNAUQGDQWGANJB-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

N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 104993166
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
2-[3-(chloromethyl)-4-methylpentyl]oxolane
CID 66033878
[4-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine
CID 105314328
4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine
CID 65161981
1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 79496181
2-methyl-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 64664189
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 106830218
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
[6-methoxy-4-methyl-1-(oxolan-2-yl)hexan-3-yl]hydrazine
CID 105337960

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine?
The IUPAC name of N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine (CID 62549646) is N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine is CNC(CCC1CCCO1)C(C)C.
What is the InChIKey of N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine?
The InChIKey is ZNAUQGDQWGANJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)11(12-3)7-6-10-5-4-8-13-10/h9-12H,4-8H2,1-3H3.
What are the key properties of N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine?
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-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,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 62549646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).