2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene

C8H16NP — CID 166848470

IUPAC2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene
SMILESC=CCC(C)C(=C)P(C)N
InChIInChI=1S/C8H16NP/c1-5-6-7(2)8(3)10(4)9/h5,7H,1,3,6,9H2,2,4H3
InChIKeyRVVSNENCNNFOPD-UHFFFAOYSA-N
MW157.20 g/mol
LogP2.70
Rot. Bonds4

About 2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene

2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene (PubChem CID 166848470) has the molecular formula C8H16NP and a molecular weight of 157.20 g/mol. Its IUPAC name is 2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene.

Molecular Properties

Compound Name2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene
PubChem CID166848470
Molecular FormulaC8H16NP
Molecular Weight157.20 g/mol
Exact Mass157.10
IUPAC Name2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene
SMILESC=CCC(C)C(=C)P(C)N
InChIInChI=1S/C8H16NP/c1-5-6-7(2)8(3)10(4)9/h5,7H,1,3,6,9H2,2,4H3
InChIKeyRVVSNENCNNFOPD-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene?
The IUPAC name of 2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene (CID 166848470) is 2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene.
What is the SMILES notation for 2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene?
The canonical SMILES for 2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene is C=CCC(C)C(=C)P(C)N.
What is the InChIKey of 2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene?
The InChIKey is RVVSNENCNNFOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NP/c1-5-6-7(2)8(3)10(4)9/h5,7H,1,3,6,9H2,2,4H3.
What are the key properties of 2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene?
2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene has a molecular weight of 157.20 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)phosphanyl]-3-methylhexa-1,5-diene is sourced from PubChem (CID 166848470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).