3-[methyl(propan-2-yl)phosphoryl]propan-1-amine

C7H17NOP- — CID 90871555

IUPAC3-[methyl(propan-2-yl)phosphoryl]propan-1-amine
SMILESC[C-](C)P(C)(=O)CCCN
InChIInChI=1S/C7H17NOP/c1-7(2)10(3,9)6-4-5-8/h4-6,8H2,1-3H3/q-1
InChIKeyIPXUVNPEQPHMEQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.90
Rot. Bonds4

About 3-[methyl(propan-2-yl)phosphoryl]propan-1-amine

3-[methyl(propan-2-yl)phosphoryl]propan-1-amine (PubChem CID 90871555) has the molecular formula C7H17NOP- and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)phosphoryl]propan-1-amine.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)phosphoryl]propan-1-amine
PubChem CID90871555
Molecular FormulaC7H17NOP-
Molecular Weight162.19 g/mol
Exact Mass162.11
IUPAC Name3-[methyl(propan-2-yl)phosphoryl]propan-1-amine
SMILESC[C-](C)P(C)(=O)CCCN
InChIInChI=1S/C7H17NOP/c1-7(2)10(3,9)6-4-5-8/h4-6,8H2,1-3H3/q-1
InChIKeyIPXUVNPEQPHMEQ-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Aminopropyl)(n-butyl)phosphinic acid
CID 130021
2-(Diisopropylphosphino)ethylamine
CID 57552996
3-(Dimethylphosphoryl)propan-1-amine
CID 19763905
(3-Aminopropyl)(propyl)phosphinic acid
CID 9920471
2-(Dimethylphosphoryl)ethan-1-amine hydrochloride
CID 87354258
3-Aminopropyl-methyl-phosphinate
CID 28559746
(1S)-1-(dimethylphosphoryl)ethan-1-amine hydrochloride
CID 165478883
(3-Aminopropyl)methylphosphine oxide
CID 129668687
2-(Dimethylphosphinoyl)ethanamine
CID 21527102
1-Propanamine, 3-[(2-methylpropyl)phosphinyl]-
CID 154398183
N-diethylphosphanylpropan-1-amine
CID 13159493
N-ditert-butylphosphorylethanamine
CID 15212258

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)phosphoryl]propan-1-amine?
The IUPAC name of 3-[methyl(propan-2-yl)phosphoryl]propan-1-amine (CID 90871555) is 3-[methyl(propan-2-yl)phosphoryl]propan-1-amine.
What is the SMILES notation for 3-[methyl(propan-2-yl)phosphoryl]propan-1-amine?
The canonical SMILES for 3-[methyl(propan-2-yl)phosphoryl]propan-1-amine is C[C-](C)P(C)(=O)CCCN.
What is the InChIKey of 3-[methyl(propan-2-yl)phosphoryl]propan-1-amine?
The InChIKey is IPXUVNPEQPHMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOP/c1-7(2)10(3,9)6-4-5-8/h4-6,8H2,1-3H3/q-1.
What are the key properties of 3-[methyl(propan-2-yl)phosphoryl]propan-1-amine?
3-[methyl(propan-2-yl)phosphoryl]propan-1-amine has a molecular weight of 162.19 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)phosphoryl]propan-1-amine is sourced from PubChem (CID 90871555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).