N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine

C8H15N2P — CID 144528956

IUPACN-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine
SMILESPCCNCC1=NC=CCC1
InChIInChI=1S/C8H15N2P/c11-6-5-9-7-8-3-1-2-4-10-8/h2,4,9H,1,3,5-7,11H2
InChIKeySPBSBVQUUWCLGB-UHFFFAOYSA-N
MW170.20 g/mol
LogP1.20
Rot. Bonds4

About N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine

N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine (PubChem CID 144528956) has the molecular formula C8H15N2P and a molecular weight of 170.20 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine
PubChem CID144528956
Molecular FormulaC8H15N2P
Molecular Weight170.20 g/mol
Exact Mass170.10
IUPAC NameN-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine
SMILESPCCNCC1=NC=CCC1
InChIInChI=1S/C8H15N2P/c11-6-5-9-7-8-3-1-2-4-10-8/h2,4,9H,1,3,5-7,11H2
InChIKeySPBSBVQUUWCLGB-UHFFFAOYSA-N
XLogP1.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine?
The IUPAC name of N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine (CID 144528956) is N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine.
What is the SMILES notation for N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine?
The canonical SMILES for N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine is PCCNCC1=NC=CCC1.
What is the InChIKey of N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine?
The InChIKey is SPBSBVQUUWCLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2P/c11-6-5-9-7-8-3-1-2-4-10-8/h2,4,9H,1,3,5-7,11H2.
What are the key properties of N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine?
N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine has a molecular weight of 170.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-2-ylmethyl)-2-phosphanylethanamine is sourced from PubChem (CID 144528956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).