N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine

C19H35N2O2P — CID 10970281

IUPACN-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine
SMILESC=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)C[C@H]2OP(=O)(N(C)C)N(C)C
InChIInChI=1S/C19H35N2O2P/c1-14(2)17-10-9-16(4)19(17)12-11-15(3)13-18(19)23-24(22,20(5)6)21(7)8/h11,16-18H,1,9-10,12-13H2,2-8H3/t16-,17-,18-,19-/m1/s1
InChIKeyKPFODVANEADJBC-NCXUSEDFSA-N
MW354.48 g/mol
LogP4.95
Rot. Bonds5

About N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine

N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine (PubChem CID 10970281) has the molecular formula C19H35N2O2P and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine
PubChem CID10970281
Molecular FormulaC19H35N2O2P
Molecular Weight354.48 g/mol
Exact Mass354.24
IUPAC NameN-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine
SMILESC=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)C[C@H]2OP(=O)(N(C)C)N(C)C
InChIInChI=1S/C19H35N2O2P/c1-14(2)17-10-9-16(4)19(17)12-11-15(3)13-18(19)23-24(22,20(5)6)21(7)8/h11,16-18H,1,9-10,12-13H2,2-8H3/t16-,17-,18-,19-/m1/s1
InChIKeyKPFODVANEADJBC-NCXUSEDFSA-N
XLogP4.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine?
The IUPAC name of N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine (CID 10970281) is N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine is C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)C[C@H]2OP(=O)(N(C)C)N(C)C.
What is the InChIKey of N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine?
The InChIKey is KPFODVANEADJBC-NCXUSEDFSA-N. The full InChI is InChI=1S/C19H35N2O2P/c1-14(2)17-10-9-16(4)19(17)12-11-15(3)13-18(19)23-24(22,20(5)6)21(7)8/h11,16-18H,1,9-10,12-13H2,2-8H3/t16-,17-,18-,19-/m1/s1.
What are the key properties of N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine?
N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine has a molecular weight of 354.48 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-[(1R,4R,5R,10R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-10-yl]oxyphosphoryl]-N-methylmethanamine is sourced from PubChem (CID 10970281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).