(2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen

C9H20NP — CID 143344740

IUPAC(2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen
SMILESCC1=C(P)C=CC(C)C1.CN.[H][H]
InChIInChI=1S/C8H13P.CH5N.H2/c1-6-3-4-8(9)7(2)5-6;1-2;/h3-4,6H,5,9H2,1-2H3;2H2,1H3;1H
InChIKeyGYEOCLQBURBAIK-UHFFFAOYSA-N
MW173.24 g/mol
LogP2.55
Rot. Bonds

About (2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen

(2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen (PubChem CID 143344740) has the molecular formula C9H20NP and a molecular weight of 173.24 g/mol. Its IUPAC name is (2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen.

Molecular Properties

Compound Name(2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen
PubChem CID143344740
Molecular FormulaC9H20NP
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC Name(2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen
SMILESCC1=C(P)C=CC(C)C1.CN.[H][H]
InChIInChI=1S/C8H13P.CH5N.H2/c1-6-3-4-8(9)7(2)5-6;1-2;/h3-4,6H,5,9H2,1-2H3;2H2,1H3;1H
InChIKeyGYEOCLQBURBAIK-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene
CID 130391076
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
3,6-dimethyl-6,7-dihydro-1-benzothiophene
CID 143335332
1,2-dibromo-5-methylcyclohexa-1,3-diene
CID 163708440
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)butan-1-imine
CID 88907679
N'-(2,4-dimethylcyclohexa-1,5-dien-1-yl)-N'-ethyl-N-methylethane-1,2-diamine
CID 143795756
(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 163504031
2,5-dimethyl-4,5-dihydro-3H-indole
CID 162195264
9-methyl-2λ3-iodabicyclo[4.4.0]deca-1(6),2,4,7-tetraene
CID 142165770
CID 89168186
CID 89168186
2,7-dimethyl-1,2-dihydronaphthalene;ethane
CID 142943759
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 143793879

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen?
The IUPAC name of (2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen (CID 143344740) is (2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen.
What is the SMILES notation for (2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen?
The canonical SMILES for (2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen is CC1=C(P)C=CC(C)C1.CN.[H][H].
What is the InChIKey of (2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen?
The InChIKey is GYEOCLQBURBAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13P.CH5N.H2/c1-6-3-4-8(9)7(2)5-6;1-2;/h3-4,6H,5,9H2,1-2H3;2H2,1H3;1H.
What are the key properties of (2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen?
(2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen has a molecular weight of 173.24 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen is sourced from PubChem (CID 143344740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).