1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine

C18H32N4 — CID 101267158

IUPAC1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine
SMILESCCC/N=C1\C=C(NCCC)/C(=N/CCC)C=C1NCCC
InChIInChI=1S/C18H32N4/c1-5-9-19-15-13-17(21-11-7-3)18(22-12-8-4)14-16(15)20-10-6-2/h13-14,19,22H,5-12H2,1-4H3/b20-16+,21-17+
InChIKeyJVCHOFPISROCGB-NWILIBCHSA-N
MW304.48 g/mol
LogP3.47
Rot. Bonds10

About 1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine

1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine (PubChem CID 101267158) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine
PubChem CID101267158
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine
SMILESCCC/N=C1\C=C(NCCC)/C(=N/CCC)C=C1NCCC
InChIInChI=1S/C18H32N4/c1-5-9-19-15-13-17(21-11-7-3)18(22-12-8-4)14-16(15)20-10-6-2/h13-14,19,22H,5-12H2,1-4H3/b20-16+,21-17+
InChIKeyJVCHOFPISROCGB-NWILIBCHSA-N
XLogP3.47
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
2,4,9,11-Tetramethyl-1,5,8,12-tetraazacyclotetradeca-1,3,9,11-tetraene
CID 10890274
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
N-[(Z)-4-[2-(diethylamino)ethylimino]pent-2-en-2-yl]-N',N'-diethylethane-1,2-diamine
CID 15960143
[2,5-Bis(2,2-dimethylpropylamino)-4-(2,2-dimethylpropylimino)cyclohexa-2,5-dien-1-ylidene]-(2,2-dimethylpropyl)azanium chloride
CID 139119792
(Z)-N-(3-dimethylarsanylpropyl)-4-(3-dimethylarsanylpropylimino)pent-2-en-2-amine
CID 162405267
(Z)-N-(3-dimethylarsinothioylpropyl)-4-(3-dimethylarsinothioylpropylimino)pent-2-en-2-amine
CID 162408022
N'-[(Z)-4-(2-aminoethylimino)pent-2-en-2-yl]ethane-1,2-diamine
CID 162408251
1-N,4-N-dibutyl-3,6-bis(butylimino)cyclohexa-1,4-diene-1,4-diamine
CID 168305490

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine?
The IUPAC name of 1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine (CID 101267158) is 1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine is CCC/N=C1\C=C(NCCC)/C(=N/CCC)C=C1NCCC.
What is the InChIKey of 1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine?
The InChIKey is JVCHOFPISROCGB-NWILIBCHSA-N. The full InChI is InChI=1S/C18H32N4/c1-5-9-19-15-13-17(21-11-7-3)18(22-12-8-4)14-16(15)20-10-6-2/h13-14,19,22H,5-12H2,1-4H3/b20-16+,21-17+.
What are the key properties of 1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine?
1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine has a molecular weight of 304.48 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dipropyl-3,6-bis(propylimino)cyclohexa-1,4-diene-1,4-diamine is sourced from PubChem (CID 101267158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).