(2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine

C10H21N2OP — CID 90087320

IUPAC(2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine
SMILESCC(C)C[C@@H](CN1CCCC1)NP=O
InChIInChI=1S/C10H21N2OP/c1-9(2)7-10(11-14-13)8-12-5-3-4-6-12/h9-10H,3-8H2,1-2H3,(H,11,13)/t10-/m0/s1
InChIKeyLGUQJFQLWUHFPR-JTQLQIEISA-N
MW216.26 g/mol
LogP2.29
Rot. Bonds6

About (2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine

(2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine (PubChem CID 90087320) has the molecular formula C10H21N2OP and a molecular weight of 216.26 g/mol. Its IUPAC name is (2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine
PubChem CID90087320
Molecular FormulaC10H21N2OP
Molecular Weight216.26 g/mol
Exact Mass216.14
IUPAC Name(2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine
SMILESCC(C)C[C@@H](CN1CCCC1)NP=O
InChIInChI=1S/C10H21N2OP/c1-9(2)7-10(11-14-13)8-12-5-3-4-6-12/h9-10H,3-8H2,1-2H3,(H,11,13)/t10-/m0/s1
InChIKeyLGUQJFQLWUHFPR-JTQLQIEISA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.29
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

4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pentan-2-amine
CID 61471885
tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate
CID 11832975
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine
CID 29046500
N,4-dimethyl-1-piperazin-1-ylpentan-2-amine
CID 116954874
6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057810
2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
CID 54906759
N-methyl-1-pyrrolidin-1-ylbutan-2-amine
CID 62039052
(2R)-1-(azetidin-1-yl)-4-methylpentan-2-amine
CID 130547403
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
1-[2-(bromomethyl)-4-methylpentyl]piperidine;hydrobromide
CID 71320329

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of (2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine (CID 90087320) is (2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for (2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine is CC(C)C[C@@H](CN1CCCC1)NP=O.
What is the InChIKey of (2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is LGUQJFQLWUHFPR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21N2OP/c1-9(2)7-10(11-14-13)8-12-5-3-4-6-12/h9-10H,3-8H2,1-2H3,(H,11,13)/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine?
(2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 216.26 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-phosphoroso-1-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 90087320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).