3-N-cyclopropyl-3-N-propyloxane-3,4-diamine

C11H22N2O — CID 43608825

IUPAC3-N-cyclopropyl-3-N-propyloxane-3,4-diamine
SMILESCCCN(C1CC1)C1COCCC1N
InChIInChI=1S/C11H22N2O/c1-2-6-13(9-3-4-9)11-8-14-7-5-10(11)12/h9-11H,2-8,12H2,1H3
InChIKeyILPXXBXDSXDVRI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds4

About 3-N-cyclopropyl-3-N-propyloxane-3,4-diamine

3-N-cyclopropyl-3-N-propyloxane-3,4-diamine (PubChem CID 43608825) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-N-cyclopropyl-3-N-propyloxane-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-3-N-propyloxane-3,4-diamine
PubChem CID43608825
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-N-cyclopropyl-3-N-propyloxane-3,4-diamine
SMILESCCCN(C1CC1)C1COCCC1N
InChIInChI=1S/C11H22N2O/c1-2-6-13(9-3-4-9)11-8-14-7-5-10(11)12/h9-11H,2-8,12H2,1H3
InChIKeyILPXXBXDSXDVRI-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-butyl-3-N-ethyloxane-3,4-diamine
CID 43608807
3-N-ethyl-3-N-methyloxane-3,4-diamine
CID 43608817
3-N-[2-(dimethylamino)ethyl]-3-N-methyloxane-3,4-diamine
CID 63694328
N-(oxolan-3-yl)-N-propylpiperidin-4-amine
CID 63564920
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
3-N-(2-methoxyethyl)-3-N-pentan-3-yloxane-3,4-diamine
CID 55004363
3-N-ethyl-3-N-(2-ethylbutyl)oxane-3,4-diamine
CID 61436867
3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine
CID 79477724
3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine
CID 78976627
4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
CID 79111561
3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
CID 78976656
3-(2-propoxyethyl)oxan-4-amine
CID 106469000

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-3-N-propyloxane-3,4-diamine?
The IUPAC name of 3-N-cyclopropyl-3-N-propyloxane-3,4-diamine (CID 43608825) is 3-N-cyclopropyl-3-N-propyloxane-3,4-diamine.
What is the SMILES notation for 3-N-cyclopropyl-3-N-propyloxane-3,4-diamine?
The canonical SMILES for 3-N-cyclopropyl-3-N-propyloxane-3,4-diamine is CCCN(C1CC1)C1COCCC1N.
What is the InChIKey of 3-N-cyclopropyl-3-N-propyloxane-3,4-diamine?
The InChIKey is ILPXXBXDSXDVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-6-13(9-3-4-9)11-8-14-7-5-10(11)12/h9-11H,2-8,12H2,1H3.
What are the key properties of 3-N-cyclopropyl-3-N-propyloxane-3,4-diamine?
3-N-cyclopropyl-3-N-propyloxane-3,4-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-3-N-propyloxane-3,4-diamine is sourced from PubChem (CID 43608825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).