4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine

C15H22N2 — CID 175415825

IUPAC4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine
SMILESCNC1=CCC(NC)(C2=CC(C)=C(C)C2)C=C1
InChIInChI=1S/C15H22N2/c1-11-9-13(10-12(11)2)15(17-4)7-5-14(16-3)6-8-15/h5-7,9,16-17H,8,10H2,1-4H3
InChIKeyCZSGMBBQKXZYGZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.67
Rot. Bonds3

About 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine

4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 175415825) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine
PubChem CID175415825
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine
SMILESCNC1=CCC(NC)(C2=CC(C)=C(C)C2)C=C1
InChIInChI=1S/C15H22N2/c1-11-9-13(10-12(11)2)15(17-4)7-5-14(16-3)6-8-15/h5-7,9,16-17H,8,10H2,1-4H3
InChIKeyCZSGMBBQKXZYGZ-UHFFFAOYSA-N
XLogP2.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(Dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 143818286
4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 154352198
3-fluoro-4-N,4-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 172728621
2-Isobutyl-2,4-diisopropylpyridine
CID 129675219
4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine
CID 58891497
2-(3a,4-dihydro-1H-indol-3-yl)ethanamine
CID 59102577
3-ethyl-3a,4-dihydro-1H-indole
CID 68241943
(3R)-2-(1-aminoethenyl)-N,3-dimethylcyclopenten-1-amine
CID 68242633
2-hexyl-2-methyl-1H-pyridine
CID 68994259
1-N,1-dipropylcyclohexa-3,5-diene-1,2,4-triamine
CID 69779315
N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine
CID 70591221
N-methyl-3-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine
CID 70592184

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine (CID 175415825) is 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine is CNC1=CCC(NC)(C2=CC(C)=C(C)C2)C=C1.
What is the InChIKey of 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is CZSGMBBQKXZYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-9-13(10-12(11)2)15(17-4)7-5-14(16-3)6-8-15/h5-7,9,16-17H,8,10H2,1-4H3.
What are the key properties of 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine?
4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 230.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-1-N,4-N-dimethylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 175415825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).