1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine

C10H24NP — CID 546995

IUPAC1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine
SMILESCC(C)P(CN(C)C)C(C)(C)C
InChIInChI=1S/C10H24NP/c1-9(2)12(8-11(6)7)10(3,4)5/h9H,8H2,1-7H3
InChIKeyKMXRHIINVKAPSY-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.19
Rot. Bonds3

About 1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine

1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine (PubChem CID 546995) has the molecular formula C10H24NP and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine
PubChem CID546995
Molecular FormulaC10H24NP
Molecular Weight189.28 g/mol
Exact Mass189.16
IUPAC Name1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine
SMILESCC(C)P(CN(C)C)C(C)(C)C
InChIInChI=1S/C10H24NP/c1-9(2)12(8-11(6)7)10(3,4)5/h9H,8H2,1-7H3
InChIKeyKMXRHIINVKAPSY-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine (CID 546995) is 1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine is CC(C)P(CN(C)C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine?
The InChIKey is KMXRHIINVKAPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NP/c1-9(2)12(8-11(6)7)10(3,4)5/h9H,8H2,1-7H3.
What are the key properties of 1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine?
1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine has a molecular weight of 189.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(propan-2-yl)phosphanyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 546995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).