1-tert-butylphosphanylidene-N,N-dimethylmethanamine

C7H16NP — CID 12736249

IUPAC1-tert-butylphosphanylidene-N,N-dimethylmethanamine
SMILESCN(C)/C=P/C(C)(C)C
InChIInChI=1S/C7H16NP/c1-7(2,3)9-6-8(4)5/h6H,1-5H3
InChIKeyWUXJVOCIIQRMKR-UHFFFAOYSA-N
MW145.19 g/mol
LogP2.05
Rot. Bonds1

About 1-tert-butylphosphanylidene-N,N-dimethylmethanamine

1-tert-butylphosphanylidene-N,N-dimethylmethanamine (PubChem CID 12736249) has the molecular formula C7H16NP and a molecular weight of 145.19 g/mol. Its IUPAC name is 1-tert-butylphosphanylidene-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-tert-butylphosphanylidene-N,N-dimethylmethanamine
PubChem CID12736249
Molecular FormulaC7H16NP
Molecular Weight145.19 g/mol
Exact Mass145.10
IUPAC Name1-tert-butylphosphanylidene-N,N-dimethylmethanamine
SMILESCN(C)/C=P/C(C)(C)C
InChIInChI=1S/C7H16NP/c1-7(2,3)9-6-8(4)5/h6H,1-5H3
InChIKeyWUXJVOCIIQRMKR-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-Dimethylaminomethyl-tert.-butyl-isopropylphosphine
CID 546995
Diisopropyl-dimethylaminomethyl-phosphine
CID 546911
Bis(dimethylaminomethyl)-t-butyl-phosphine
CID 12782593
Di-t-butyldimethylaminomethylenephosphonium chloride
CID 13513078
N-ditert-butylphosphanyl-N-methylmethanamine
CID 14908681
1-[tert-butyl(propyl)phosphanyl]-N,N-dimethylmethanamine
CID 169084850
[Tert-butyl-[(dimethylamino)methyl]phosphanyl]formonitrile
CID 12782596
Di(propan-2-yl)phosphanylmethyl-trimethylazanium
CID 12782611
(Dimethylamino)methyl-methyl-di(propan-2-yl)phosphanium
CID 23261162
Trimethyl-[[methyl-di(propan-2-yl)phosphaniumyl]methyl]azanium
CID 23261220
1-[tert-butyl(dimethylamino)phosphanyl]-N,N-dimethylmethanamine
CID 102022242

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylphosphanylidene-N,N-dimethylmethanamine?
The IUPAC name of 1-tert-butylphosphanylidene-N,N-dimethylmethanamine (CID 12736249) is 1-tert-butylphosphanylidene-N,N-dimethylmethanamine.
What is the SMILES notation for 1-tert-butylphosphanylidene-N,N-dimethylmethanamine?
The canonical SMILES for 1-tert-butylphosphanylidene-N,N-dimethylmethanamine is CN(C)/C=P/C(C)(C)C.
What is the InChIKey of 1-tert-butylphosphanylidene-N,N-dimethylmethanamine?
The InChIKey is WUXJVOCIIQRMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NP/c1-7(2,3)9-6-8(4)5/h6H,1-5H3.
What are the key properties of 1-tert-butylphosphanylidene-N,N-dimethylmethanamine?
1-tert-butylphosphanylidene-N,N-dimethylmethanamine has a molecular weight of 145.19 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylphosphanylidene-N,N-dimethylmethanamine is sourced from PubChem (CID 12736249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).