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

C10H21NO — CID 65328294

IUPACN,3-dimethyl-1-(oxolan-2-yl)butan-1-amine
SMILESCNC(CC(C)C)C1CCCO1
InChIInChI=1S/C10H21NO/c1-8(2)7-9(11-3)10-5-4-6-12-10/h8-11H,4-7H2,1-3H3
InChIKeyPSZMFHHLMYMBTJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

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

N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine (PubChem CID 65328294) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(oxolan-2-yl)butan-1-amine
PubChem CID65328294
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,3-dimethyl-1-(oxolan-2-yl)butan-1-amine
SMILESCNC(CC(C)C)C1CCCO1
InChIInChI=1S/C10H21NO/c1-8(2)7-9(11-3)10-5-4-6-12-10/h8-11H,4-7H2,1-3H3
InChIKeyPSZMFHHLMYMBTJ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine?
The IUPAC name of N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine (CID 65328294) is N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine is CNC(CC(C)C)C1CCCO1.
What is the InChIKey of N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine?
The InChIKey is PSZMFHHLMYMBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)7-9(11-3)10-5-4-6-12-10/h8-11H,4-7H2,1-3H3.
What are the key properties of N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine?
N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65328294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).