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

C15H30N2O — CID 78976627

IUPAC3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine
SMILESCCNC1CCOCC1N(CCC(C)C)C1CC1
InChIInChI=1S/C15H30N2O/c1-4-16-14-8-10-18-11-15(14)17(13-5-6-13)9-7-12(2)3/h12-16H,4-11H2,1-3H3
InChIKeySFCBWSFGRSGXNE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds7

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

3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine (PubChem CID 78976627) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine
PubChem CID78976627
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine
SMILESCCNC1CCOCC1N(CCC(C)C)C1CC1
InChIInChI=1S/C15H30N2O/c1-4-16-14-8-10-18-11-15(14)17(13-5-6-13)9-7-12(2)3/h12-16H,4-11H2,1-3H3
InChIKeySFCBWSFGRSGXNE-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
CID 78976656
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine
CID 64612141
4-N-ethyl-3-N-methyl-3-N-[(2-methylcyclopropyl)methyl]oxane-3,4-diamine
CID 63878563
3-N-cyclopropyl-3-N-propyloxane-3,4-diamine
CID 43608825
3-N,3-N-bis(3-methylbutyl)oxane-3,4-diamine
CID 107869710
4-N-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yloxane-3,4-diamine
CID 79484117
3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine
CID 103060612
2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine
CID 78944026
3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060336
2-[cyclopropyl(3-methylbutyl)amino]cyclopentan-1-ol
CID 78974485
N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 103059662

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
The IUPAC name of 3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine (CID 78976627) is 3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine.
What is the SMILES notation for 3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
The canonical SMILES for 3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine is CCNC1CCOCC1N(CCC(C)C)C1CC1.
What is the InChIKey of 3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
The InChIKey is SFCBWSFGRSGXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-16-14-8-10-18-11-15(14)17(13-5-6-13)9-7-12(2)3/h12-16H,4-11H2,1-3H3.
What are the key properties of 3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
3-N-cyclopropyl-4-N-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 7 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-ethyl-3-N-(3-methylbutyl)oxane-3,4-diamine is sourced from PubChem (CID 78976627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).