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

C12H25NO — CID 62915462

IUPACN,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine
SMILESCNC(C)C(CC1CCCO1)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)12(10(3)13-4)8-11-6-5-7-14-11/h9-13H,5-8H2,1-4H3
InChIKeyGGXGPSNHBUVLLJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds5

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

N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine (PubChem CID 62915462) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine
PubChem CID62915462
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine
SMILESCNC(C)C(CC1CCCO1)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)12(10(3)13-4)8-11-6-5-7-14-11/h9-13H,5-8H2,1-4H3
InChIKeyGGXGPSNHBUVLLJ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine?
The IUPAC name of N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine (CID 62915462) is N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine?
The canonical SMILES for N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine is CNC(C)C(CC1CCCO1)C(C)C.
What is the InChIKey of N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine?
The InChIKey is GGXGPSNHBUVLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)12(10(3)13-4)8-11-6-5-7-14-11/h9-13H,5-8H2,1-4H3.
What are the key properties of N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine?
N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(oxolan-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 62915462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).