N-butyl-N-propyloxan-2-amine

C12H25NO — CID 91513495

IUPACN-butyl-N-propyloxan-2-amine
SMILESCCCCN(CCC)C1CCCCO1
InChIInChI=1S/C12H25NO/c1-3-5-10-13(9-4-2)12-8-6-7-11-14-12/h12H,3-11H2,1-2H3
InChIKeyMMGBWQBSXBFQER-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.03
Rot. Bonds6

About N-butyl-N-propyloxan-2-amine

N-butyl-N-propyloxan-2-amine (PubChem CID 91513495) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-butyl-N-propyloxan-2-amine.

Molecular Properties

Compound NameN-butyl-N-propyloxan-2-amine
PubChem CID91513495
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-butyl-N-propyloxan-2-amine
SMILESCCCCN(CCC)C1CCCCO1
InChIInChI=1S/C12H25NO/c1-3-5-10-13(9-4-2)12-8-6-7-11-14-12/h12H,3-11H2,1-2H3
InChIKeyMMGBWQBSXBFQER-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-propyloxan-2-amine
CID 90739816
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine
CID 174963447
N-methyl-N-propyloxan-2-amine
CID 91002672
N-butyl-N-propylcyclohexanamine
CID 15751893
(2R)-N,N-dimethyloxan-2-amine
CID 92983084
N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide
CID 62213009
tributyl(oxan-2-ylmethyl)germane
CID 12036528
butyl(oxan-2-yl)alumane
CID 173023766
N,N-dibutyloxolane-2-carboxamide
CID 3414196
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-butyl-N-propylpyrrolidin-2-amine
CID 90707555
2-heptan-2-yloxane
CID 67835602

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propyloxan-2-amine?
The IUPAC name of N-butyl-N-propyloxan-2-amine (CID 91513495) is N-butyl-N-propyloxan-2-amine.
What is the SMILES notation for N-butyl-N-propyloxan-2-amine?
The canonical SMILES for N-butyl-N-propyloxan-2-amine is CCCCN(CCC)C1CCCCO1.
What is the InChIKey of N-butyl-N-propyloxan-2-amine?
The InChIKey is MMGBWQBSXBFQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-10-13(9-4-2)12-8-6-7-11-14-12/h12H,3-11H2,1-2H3.
What are the key properties of N-butyl-N-propyloxan-2-amine?
N-butyl-N-propyloxan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propyloxan-2-amine is sourced from PubChem (CID 91513495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).