N-[butyl(ethylamino)phosphoryl]propan-1-amine

C9H23N2OP — CID 123972453

IUPACN-[butyl(ethylamino)phosphoryl]propan-1-amine
SMILESCCCCP(=O)(NCC)NCCC
InChIInChI=1S/C9H23N2OP/c1-4-7-9-13(12,10-6-3)11-8-5-2/h4-9H2,1-3H3,(H2,10,11,12)
InChIKeyZYNFRBOWLCGVAB-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.59
Rot. Bonds8

About N-[butyl(ethylamino)phosphoryl]propan-1-amine

N-[butyl(ethylamino)phosphoryl]propan-1-amine (PubChem CID 123972453) has the molecular formula C9H23N2OP and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[butyl(ethylamino)phosphoryl]propan-1-amine.

Molecular Properties

Compound NameN-[butyl(ethylamino)phosphoryl]propan-1-amine
PubChem CID123972453
Molecular FormulaC9H23N2OP
Molecular Weight206.27 g/mol
Exact Mass206.15
IUPAC NameN-[butyl(ethylamino)phosphoryl]propan-1-amine
SMILESCCCCP(=O)(NCC)NCCC
InChIInChI=1S/C9H23N2OP/c1-4-7-9-13(12,10-6-3)11-8-5-2/h4-9H2,1-3H3,(H2,10,11,12)
InChIKeyZYNFRBOWLCGVAB-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 172720905
CID 172720905
amino(ethylamino)phosphinic acid;hexane
CID 87856928
bis(propylamino)phosphinic acid
CID 59603177
N-[bis(butylamino)phosphoryl]butan-1-amine
CID 15653527
butylphosphonic acid;neodymium
CID 134499527
butyl(methyl)phosphinic acid
CID 10909622
N-methylpentan-1-amine;phosphoric acid
CID 175529105
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870
potassium;butylphosphonic acid;hydride
CID 174388690
alumane;butyl(propyl)phosphinic acid
CID 174987333

Frequently Asked Questions

What is the IUPAC name of N-[butyl(ethylamino)phosphoryl]propan-1-amine?
The IUPAC name of N-[butyl(ethylamino)phosphoryl]propan-1-amine (CID 123972453) is N-[butyl(ethylamino)phosphoryl]propan-1-amine.
What is the SMILES notation for N-[butyl(ethylamino)phosphoryl]propan-1-amine?
The canonical SMILES for N-[butyl(ethylamino)phosphoryl]propan-1-amine is CCCCP(=O)(NCC)NCCC.
What is the InChIKey of N-[butyl(ethylamino)phosphoryl]propan-1-amine?
The InChIKey is ZYNFRBOWLCGVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N2OP/c1-4-7-9-13(12,10-6-3)11-8-5-2/h4-9H2,1-3H3,(H2,10,11,12).
What are the key properties of N-[butyl(ethylamino)phosphoryl]propan-1-amine?
N-[butyl(ethylamino)phosphoryl]propan-1-amine has a molecular weight of 206.27 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(ethylamino)phosphoryl]propan-1-amine is sourced from PubChem (CID 123972453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).