N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine

C12H28NO2P — CID 170651089

IUPACN-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine
SMILESCCC(C)NP(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H28NO2P/c1-9-10(2)13-16(14-11(3,4)5)15-12(6,7)8/h10,13H,9H2,1-8H3
InChIKeyCWMPHFIAEVFAJY-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.23
Rot. Bonds5

About N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine

N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine (PubChem CID 170651089) has the molecular formula C12H28NO2P and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine.

Molecular Properties

Compound NameN-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine
PubChem CID170651089
Molecular FormulaC12H28NO2P
Molecular Weight249.33 g/mol
Exact Mass249.19
IUPAC NameN-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine
SMILESCCC(C)NP(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H28NO2P/c1-9-10(2)13-16(14-11(3,4)5)15-12(6,7)8/h10,13H,9H2,1-8H3
InChIKeyCWMPHFIAEVFAJY-UHFFFAOYSA-N
XLogP4.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
CID 130573926
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
sulfanyl N-butan-2-ylcarbamate
CID 58226162
2-(butan-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 143350838
ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium
CID 23418603
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
2-methyl-N-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]propan-2-amine
CID 72592893
2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
2-N-butan-2-yl-2-methylpropane-1,2-diamine
CID 65382863
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
methyl (2R)-2-[[butan-2-yl(tert-butyl)phosphanyl]amino]-4-methylpentanoate
CID 134886088
tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate
CID 24688510

Frequently Asked Questions

What is the IUPAC name of N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine?
The IUPAC name of N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine (CID 170651089) is N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine.
What is the SMILES notation for N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine?
The canonical SMILES for N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine is CCC(C)NP(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine?
The InChIKey is CWMPHFIAEVFAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO2P/c1-9-10(2)13-16(14-11(3,4)5)15-12(6,7)8/h10,13H,9H2,1-8H3.
What are the key properties of N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine?
N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine has a molecular weight of 249.33 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]butan-2-amine is sourced from PubChem (CID 170651089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).