1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine

C15H26N2O — CID 150689047

IUPAC1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine
SMILESCC(C)CC1(NC2CCOCC2)C=CC=CC1N
InChIInChI=1S/C15H26N2O/c1-12(2)11-15(8-4-3-5-14(15)16)17-13-6-9-18-10-7-13/h3-5,8,12-14,17H,6-7,9-11,16H2,1-2H3
InChIKeyJJMJDHFVXHUSCS-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.99
Rot. Bonds4

About 1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine

1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 150689047) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID150689047
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine
SMILESCC(C)CC1(NC2CCOCC2)C=CC=CC1N
InChIInChI=1S/C15H26N2O/c1-12(2)11-15(8-4-3-5-14(15)16)17-13-6-9-18-10-7-13/h3-5,8,12-14,17H,6-7,9-11,16H2,1-2H3
InChIKeyJJMJDHFVXHUSCS-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597382
1-[Cyclohex-3-en-1-yl(methoxy)methyl]piperazine
CID 135135364
1-[1-(Oxan-4-yl)piperidin-4-yl]cyclohexa-3,5-diene-1,2-diamine
CID 154240902
3-(Cyclohexa-1,3-dien-1-yloxymethyl)-2-methylpiperidine
CID 173509032
chromium;(2S,3R)-3-methyl-2-(3-methylbenzene-2-id-1-yl)pyrrolidine;4-methyloxane
CID 177146483
chromium;(2S,3R)-3-methyl-2-(3-methylbenzene-2-id-1-yl)pyrrolidine;3-methyloxane
CID 177146506
N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
CID 43609615
N-(cyclohex-3-en-1-ylmethyl)-2-methyloxan-4-amine
CID 64102271
N-(oxan-3-ylmethyl)cyclohex-2-en-1-amine
CID 103923742
N-(oxan-4-ylmethyl)cyclohex-2-en-1-amine
CID 115693417
N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine
CID 115713339

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine (CID 150689047) is 1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine is CC(C)CC1(NC2CCOCC2)C=CC=CC1N.
What is the InChIKey of 1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is JJMJDHFVXHUSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)11-15(8-4-3-5-14(15)16)17-13-6-9-18-10-7-13/h3-5,8,12-14,17H,6-7,9-11,16H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine?
1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 150689047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).