4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine

C14H26N2 — CID 86736227

IUPAC4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCCC(C)CCNC1=CCC(N)(CC)C=C1
InChIInChI=1S/C14H26N2/c1-4-12(3)8-11-16-13-6-9-14(15,5-2)10-7-13/h6-7,9,12,16H,4-5,8,10-11,15H2,1-3H3
InChIKeyDNPPDVYQMFPBIG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.96
Rot. Bonds6

About 4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine

4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 86736227) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID86736227
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCCC(C)CCNC1=CCC(N)(CC)C=C1
InChIInChI=1S/C14H26N2/c1-4-12(3)8-11-16-13-6-9-14(15,5-2)10-7-13/h6-7,9,12,16H,4-5,8,10-11,15H2,1-3H3
InChIKeyDNPPDVYQMFPBIG-UHFFFAOYSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
N-(2-ethylhexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 117695513
(Z)-1-(4-aminocyclohexa-2,4-dien-1-yl)-5,5-difluoro-2-N-methylhex-2-ene-2,4-diamine
CID 130179797
3-Fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135496
N-methyl-1-[1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-yl]ethenamine
CID 139332591
3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
4-[2-(dimethylamino)ethyl]-4-N-methyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 154309627
4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 154352198
N-[(Z)-but-2-en-2-yl]-6-ethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 167216752
(3Z)-2-N-methyl-5-N-[3-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]hexa-1,3,5-triene-2,5-diamine
CID 170212781
3-fluoro-4-N,4-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 172728621
(1S)-3-fluoro-1-methyl-N-[1-[(4R)-4-(methylamino)cyclohex-2-en-1-yl]ethenyl]cyclohexa-2,4-dien-1-amine
CID 173481340

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine (CID 86736227) is 4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine is CCC(C)CCNC1=CCC(N)(CC)C=C1.
What is the InChIKey of 4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is DNPPDVYQMFPBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-12(3)8-11-16-13-6-9-14(15,5-2)10-7-13/h6-7,9,12,16H,4-5,8,10-11,15H2,1-3H3.
What are the key properties of 4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine?
4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 222.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-N-(3-methylpentyl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 86736227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).