N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine

C9H17N2P — CID 12996153

IUPACN-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(C1=CC=CC1)N(C)C
InChIInChI=1S/C9H17N2P/c1-10(2)12(11(3)4)9-7-5-6-8-9/h5-7H,8H2,1-4H3
InChIKeyIISSPFPXOURYBQ-UHFFFAOYSA-N
MW184.22 g/mol
LogP2.27
Rot. Bonds3

About N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine

N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine (PubChem CID 12996153) has the molecular formula C9H17N2P and a molecular weight of 184.22 g/mol. Its IUPAC name is N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine
PubChem CID12996153
Molecular FormulaC9H17N2P
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC NameN-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(C1=CC=CC1)N(C)C
InChIInChI=1S/C9H17N2P/c1-10(2)12(11(3)4)9-7-5-6-8-9/h5-7H,8H2,1-4H3
InChIKeyIISSPFPXOURYBQ-UHFFFAOYSA-N
XLogP2.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine (CID 12996153) is N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine is CN(C)P(C1=CC=CC1)N(C)C.
What is the InChIKey of N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine?
The InChIKey is IISSPFPXOURYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2P/c1-10(2)12(11(3)4)9-7-5-6-8-9/h5-7H,8H2,1-4H3.
What are the key properties of N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine?
N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine has a molecular weight of 184.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenta-1,3-dien-1-yl(dimethylamino)phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 12996153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).