N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine

C11H18N2P2 — CID 155399172

IUPACN-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(P)(P)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C11H18N2P2/c1-11(14,15)10-5-2-8(7-13-10)6-12-9-3-4-9/h2,5,7,9,12H,3-4,6,14-15H2,1H3
InChIKeyNLHQYCNARSRUCP-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.26
Rot. Bonds4

About N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine

N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 155399172) has the molecular formula C11H18N2P2 and a molecular weight of 240.23 g/mol. Its IUPAC name is N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID155399172
Molecular FormulaC11H18N2P2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC NameN-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
SMILESCC(P)(P)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C11H18N2P2/c1-11(14,15)10-5-2-8(7-13-10)6-12-9-3-4-9/h2,5,7,9,12H,3-4,6,14-15H2,1H3
InChIKeyNLHQYCNARSRUCP-UHFFFAOYSA-N
XLogP2.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 65089500
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[[6-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 66226369
N-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 175646911
5-[(cyclopropylamino)methyl]-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915278
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290349
5-[(cyclopropylamino)methyl]-N-(2-methylbutan-2-yl)pyridine-2-sulfonamide
CID 106031617
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724
N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine
CID 80640577
N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine
CID 59828914
N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
CID 103982082

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine (CID 155399172) is N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine is CC(P)(P)c1ccc(CNC2CC2)cn1.
What is the InChIKey of N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is NLHQYCNARSRUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2P2/c1-11(14,15)10-5-2-8(7-13-10)6-12-9-3-4-9/h2,5,7,9,12H,3-4,6,14-15H2,1H3.
What are the key properties of N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 240.23 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 155399172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).