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

C13H27NO — CID 80683840

IUPACN,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine
SMILESCCC(C)CC(NC)C1(C)CCCCO1
InChIInChI=1S/C13H27NO/c1-5-11(2)10-12(14-4)13(3)8-6-7-9-15-13/h11-12,14H,5-10H2,1-4H3
InChIKeyOLJKRWVAORSSII-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds5

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

N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine (PubChem CID 80683840) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine
PubChem CID80683840
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine
SMILESCCC(C)CC(NC)C1(C)CCCCO1
InChIInChI=1S/C13H27NO/c1-5-11(2)10-12(14-4)13(3)8-6-7-9-15-13/h11-12,14H,5-10H2,1-4H3
InChIKeyOLJKRWVAORSSII-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
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-(2-methyloxan-2-yl)pentan-1-amine?
The IUPAC name of N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine (CID 80683840) is N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine?
The canonical SMILES for N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine is CCC(C)CC(NC)C1(C)CCCCO1.
What is the InChIKey of N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine?
The InChIKey is OLJKRWVAORSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-11(2)10-12(14-4)13(3)8-6-7-9-15-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine?
N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine is sourced from PubChem (CID 80683840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).