1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine

C16H27N3 — CID 79725282

IUPAC1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H27N3/c1-3-19(4-2)16-11-9-15(10-12-16)18-14-7-5-13(17)6-8-14/h9-14,18H,3-8,17H2,1-2H3
InChIKeyNUQGCMQQHAFTRD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds5

About 1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine

1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 79725282) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID79725282
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H27N3/c1-3-19(4-2)16-11-9-15(10-12-16)18-14-7-5-13(17)6-8-14/h9-14,18H,3-8,17H2,1-2H3
InChIKeyNUQGCMQQHAFTRD-UHFFFAOYSA-N
XLogP3.21
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
CID 79724803
4-N,4-N-diethyl-1-N-(thian-3-yl)benzene-1,4-diamine
CID 62873258
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
4-N-(4-methylsulfanylphenyl)cyclohexane-1,4-diamine
CID 79736798
4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine
CID 115149662
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482
2-[N-ethyl-4-(oxan-4-ylamino)anilino]ethanol
CID 54866203
1-N-(2-bicyclo[3.1.0]hexanyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 112739993
1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 81465612
2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
CID 79731299

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 79725282) is 1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(NC2CCC(N)CC2)cc1.
What is the InChIKey of 1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is NUQGCMQQHAFTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-19(4-2)16-11-9-15(10-12-16)18-14-7-5-13(17)6-8-14/h9-14,18H,3-8,17H2,1-2H3.
What are the key properties of 1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 79725282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).