1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine

C11H20N2 — CID 141237445

IUPAC1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine
SMILESCCC(CC)C1(N)C=CC=C(N)C1
InChIInChI=1S/C11H20N2/c1-3-9(4-2)11(13)7-5-6-10(12)8-11/h5-7,9H,3-4,8,12-13H2,1-2H3
InChIKeyCTIMITOCEAVWDV-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.92
Rot. Bonds3

About 1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine

1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine (PubChem CID 141237445) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine
PubChem CID141237445
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine
SMILESCCC(CC)C1(N)C=CC=C(N)C1
InChIInChI=1S/C11H20N2/c1-3-9(4-2)11(13)7-5-6-10(12)8-11/h5-7,9H,3-4,8,12-13H2,1-2H3
InChIKeyCTIMITOCEAVWDV-UHFFFAOYSA-N
XLogP1.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5-Tetramethyl-p-phenylenediamine
CID 69333646
2-Ethyl-1-methylcyclohexa-3,5-diene-1,3-diamine
CID 20027500
3-Propan-2-ylcyclohexa-1,5-diene-1,4-diamine
CID 20400468
1,4-Diethyl-2-methylcyclohexa-3,5-diene-1,3-diamine
CID 20476288
1,2-Di(propan-2-yl)cyclohexa-2,4-dien-1-amine
CID 23084977
4-Propan-2-ylcyclohexa-1,5-diene-1,4-diamine
CID 66589671
1,2-Dimethylcyclohexa-3,5-diene-1,3-diamine
CID 66921589
1,3-Diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine
CID 66957897
1,5-Diethyl-6-methylcyclohexa-2,4-diene-1,2-diamine
CID 66957903
5,6-Diethyl-5-methylcyclohexa-1,3-dien-1-amine
CID 66958213
1,3-Diethyl-6-methylcyclohex-4-ene-1,3-diamine
CID 67750329
3,5-Diethyl-4-methylcyclohexa-1,5-diene-1,3-diamine
CID 67750395

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine (CID 141237445) is 1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine is CCC(CC)C1(N)C=CC=C(N)C1.
What is the InChIKey of 1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine?
The InChIKey is CTIMITOCEAVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-9(4-2)11(13)7-5-6-10(12)8-11/h5-7,9H,3-4,8,12-13H2,1-2H3.
What are the key properties of 1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine?
1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine has a molecular weight of 180.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-ylcyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 141237445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).