2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine

C8H20N2 — CID 58618867

IUPAC2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine
SMILES[3H]NCC(C)(C)N(C)C(C)C
InChIInChI=1S/C8H20N2/c1-7(2)10(5)8(3,4)6-9/h7H,6,9H2,1-5H3/i/hT
InChIKeyCFILNVCMPSGFSR-MNYXATJNSA-N
MW146.27 g/mol
LogP1.06
Rot. Bonds4

About 2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine

2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine (PubChem CID 58618867) has the molecular formula C8H20N2 and a molecular weight of 146.27 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine
PubChem CID58618867
Molecular FormulaC8H20N2
Molecular Weight146.27 g/mol
Exact Mass146.17
IUPAC Name2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine
SMILES[3H]NCC(C)(C)N(C)C(C)C
InChIInChI=1S/C8H20N2/c1-7(2)10(5)8(3,4)6-9/h7H,6,9H2,1-5H3/i/hT
InChIKeyCFILNVCMPSGFSR-MNYXATJNSA-N
XLogP1.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine (CID 58618867) is 2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine is [3H]NCC(C)(C)N(C)C(C)C.
What is the InChIKey of 2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine?
The InChIKey is CFILNVCMPSGFSR-MNYXATJNSA-N. The full InChI is InChI=1S/C8H20N2/c1-7(2)10(5)8(3,4)6-9/h7H,6,9H2,1-5H3/i/hT.
What are the key properties of 2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine?
2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine has a molecular weight of 146.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-propan-2-yl-1-N-tritiopropane-1,2-diamine is sourced from PubChem (CID 58618867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).