(2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine

C11H24N3OP — CID 134933972

IUPAC(2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine
SMILESC=CCC/C=C(/C)NP(=O)(N(C)C)N(C)C
InChIInChI=1S/C11H24N3OP/c1-7-8-9-10-11(2)12-16(15,13(3)4)14(5)6/h7,10H,1,8-9H2,2-6H3,(H,12,15)/b11-10-
InChIKeyZHMOKJNWVLXEOH-KHPPLWFESA-N
MW245.31 g/mol
LogP2.68
Rot. Bonds7

About (2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine

(2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine (PubChem CID 134933972) has the molecular formula C11H24N3OP and a molecular weight of 245.31 g/mol. Its IUPAC name is (2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine
PubChem CID134933972
Molecular FormulaC11H24N3OP
Molecular Weight245.31 g/mol
Exact Mass245.17
IUPAC Name(2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine
SMILESC=CCC/C=C(/C)NP(=O)(N(C)C)N(C)C
InChIInChI=1S/C11H24N3OP/c1-7-8-9-10-11(2)12-16(15,13(3)4)14(5)6/h7,10H,1,8-9H2,2-6H3,(H,12,15)/b11-10-
InChIKeyZHMOKJNWVLXEOH-KHPPLWFESA-N
XLogP2.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine?
The IUPAC name of (2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine (CID 134933972) is (2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine.
What is the SMILES notation for (2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine?
The canonical SMILES for (2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine is C=CCC/C=C(/C)NP(=O)(N(C)C)N(C)C.
What is the InChIKey of (2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine?
The InChIKey is ZHMOKJNWVLXEOH-KHPPLWFESA-N. The full InChI is InChI=1S/C11H24N3OP/c1-7-8-9-10-11(2)12-16(15,13(3)4)14(5)6/h7,10H,1,8-9H2,2-6H3,(H,12,15)/b11-10-.
What are the key properties of (2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine?
(2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine has a molecular weight of 245.31 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[bis(dimethylamino)phosphoryl]hepta-2,6-dien-2-amine is sourced from PubChem (CID 134933972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).