4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine

C15H27N3O — CID 142010313

IUPAC4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCCC(CCNC1C=CC(N)=CC1)N1CCOCC1
InChIInChI=1S/C15H27N3O/c1-2-15(18-9-11-19-12-10-18)7-8-17-14-5-3-13(16)4-6-14/h3-5,14-15,17H,2,6-12,16H2,1H3
InChIKeyQMMYJGMUAAJACE-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.25
Rot. Bonds6

About 4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine

4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 142010313) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID142010313
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCCC(CCNC1C=CC(N)=CC1)N1CCOCC1
InChIInChI=1S/C15H27N3O/c1-2-15(18-9-11-19-12-10-18)7-8-17-14-5-3-13(16)4-6-14/h3-5,14-15,17H,2,6-12,16H2,1H3
InChIKeyQMMYJGMUAAJACE-UHFFFAOYSA-N
XLogP1.25
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892383
2-(2,6-dimethylmorpholin-4-yl)-4-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 70892573
1-[4-(3,5-difluorocyclohexa-1,5-dien-1-yl)-6-methylmorpholin-2-yl]-N-methylmethanamine
CID 91157344
3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine
CID 143162412
4-(2,2,6,6-Tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)morpholine
CID 12418552
5-Methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine
CID 19754038
N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine
CID 70333386
N-methyl-1-(6-methyl-3-morpholin-4-ylcyclohexa-2,4-dien-1-yl)methanamine
CID 70863713
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine
CID 70892510
4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine
CID 70892540
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 70892577
4-(2,6-Dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892610

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine (CID 142010313) is 4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine is CCC(CCNC1C=CC(N)=CC1)N1CCOCC1.
What is the InChIKey of 4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is QMMYJGMUAAJACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-15(18-9-11-19-12-10-18)7-8-17-14-5-3-13(16)4-6-14/h3-5,14-15,17H,2,6-12,16H2,1H3.
What are the key properties of 4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine?
4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-morpholin-4-ylpentyl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 142010313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).