1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine

C10H20N2 — CID 153348413

IUPAC1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
SMILESCC(N)CC1C=CC=CC1.CN
InChIInChI=1S/C9H15N.CH5N/c1-8(10)7-9-5-3-2-4-6-9;1-2/h2-5,8-9H,6-7,10H2,1H3;2H2,1H3
InChIKeyWCNNEDXEQKZVAV-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.43
Rot. Bonds2

About 1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine

1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine (PubChem CID 153348413) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
PubChem CID153348413
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
SMILESCC(N)CC1C=CC=CC1.CN
InChIInChI=1S/C9H15N.CH5N/c1-8(10)7-9-5-3-2-4-6-9;1-2/h2-5,8-9H,6-7,10H2,1H3;2H2,1H3
InChIKeyWCNNEDXEQKZVAV-UHFFFAOYSA-N
XLogP1.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
CID 142554560
5-propylcyclohexa-1,3-diene
CID 13212987
(3R,4S)-4-amino-5-[(1S)-cyclohexa-2,4-dien-1-yl]-3-hydroxypentanoic acid
CID 58667236
3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
CID 102386981
5-(3-methylheptyl)cyclohexa-1,3-diene
CID 23281661
2-amino-4-benzyl-1-[(1S)-cyclohexa-2,4-dien-1-yl]-4-propylheptan-3-one
CID 71273050
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072
3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine
CID 129144726
cyclohexa-2,4-dien-1-ylmethanesulfonyl chloride
CID 55279350
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
5-[(E)-2,2-dimethylpent-3-enyl]cyclohexa-1,3-diene
CID 164675018

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine?
The IUPAC name of 1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine (CID 153348413) is 1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine is CC(N)CC1C=CC=CC1.CN.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine?
The InChIKey is WCNNEDXEQKZVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.CH5N/c1-8(10)7-9-5-3-2-4-6-9;1-2/h2-5,8-9H,6-7,10H2,1H3;2H2,1H3.
What are the key properties of 1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine?
1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine is sourced from PubChem (CID 153348413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).