ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine

C10H22N2 — CID 143366498

IUPACethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine
SMILESCC.CC1=CC=C(N)CC1.CN
InChIInChI=1S/C7H11N.C2H6.CH5N/c1-6-2-4-7(8)5-3-6;2*1-2/h2,4H,3,5,8H2,1H3;1-2H3;2H2,1H3
InChIKeyFXCHYUSDWRPXAI-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.17
Rot. Bonds

About ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine

ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine (PubChem CID 143366498) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine
PubChem CID143366498
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine
SMILESCC.CC1=CC=C(N)CC1.CN
InChIInChI=1S/C7H11N.C2H6.CH5N/c1-6-2-4-7(8)5-3-6;2*1-2/h2,4H,3,5,8H2,1H3;1-2H3;2H2,1H3
InChIKeyFXCHYUSDWRPXAI-UHFFFAOYSA-N
XLogP2.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine
CID 143893510
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
1-chloro-4-methylcyclohexa-1,3-diene;ethane
CID 143258352
2-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)propan-1-amine
CID 91318573
4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 143935131
1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 123323176
methane;4-methylcyclohexa-1,3-dien-1-ol
CID 142050116
4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 153344986
CID 143958487
CID 143958487
methanamine;1-methylcyclohexa-1,3-diene
CID 142425195
4-(aminomethyl)cyclohexa-1,3-dien-1-amine
CID 67968263
ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene
CID 144799120

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine (CID 143366498) is ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine is CC.CC1=CC=C(N)CC1.CN.
What is the InChIKey of ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is FXCHYUSDWRPXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6.CH5N/c1-6-2-4-7(8)5-3-6;2*1-2/h2,4H,3,5,8H2,1H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine?
ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 170.30 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143366498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).