3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine

C14H28N2O — CID 78976656

IUPAC3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
SMILESCNC1CCOCC1N(CCC(C)C)C1CC1
InChIInChI=1S/C14H28N2O/c1-11(2)6-8-16(12-4-5-12)14-10-17-9-7-13(14)15-3/h11-15H,4-10H2,1-3H3
InChIKeyYJWWVUYRCMDYIJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds6

About 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine

3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine (PubChem CID 78976656) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
PubChem CID78976656
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
SMILESCNC1CCOCC1N(CCC(C)C)C1CC1
InChIInChI=1S/C14H28N2O/c1-11(2)6-8-16(12-4-5-12)14-10-17-9-7-13(14)15-3/h11-15H,4-10H2,1-3H3
InChIKeyYJWWVUYRCMDYIJ-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine
CID 78976627
4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78943997
4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine
CID 79484117
2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine
CID 78944026
3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine
CID 103060612
2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78998617
N-methyl-3-(2-methylpropyl)oxan-4-amine
CID 106469078
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
3-N-tert-butyl-3-N,4-N-dimethyloxane-3,4-diamine
CID 130834147
2-[cyclopropyl(3-methylbutyl)amino]cyclopentan-1-ol
CID 78974485
1-[methyl-[[4-(methylamino)oxan-3-yl]methyl]amino]propan-2-ol
CID 103059860
3-N-cyclopropyl-3-N-propyloxane-3,4-diamine
CID 43608825

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
The IUPAC name of 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine (CID 78976656) is 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine.
What is the SMILES notation for 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
The canonical SMILES for 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine is CNC1CCOCC1N(CCC(C)C)C1CC1.
What is the InChIKey of 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
The InChIKey is YJWWVUYRCMDYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)6-8-16(12-4-5-12)14-10-17-9-7-13(14)15-3/h11-15H,4-10H2,1-3H3.
What are the key properties of 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine is sourced from PubChem (CID 78976656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).