1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine

C17H39N3 — CID 62426633

IUPAC1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H39N3/c1-14(2)13-20(11-10-19(8)9)16(15(3)4)12-18-17(5,6)7/h14-16,18H,10-13H2,1-9H3
InChIKeyBAWNPUBRUVLQDC-UHFFFAOYSA-N
MW285.52 g/mol
LogP2.92
Rot. Bonds9

About 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine

1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 62426633) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID62426633
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Name1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H39N3/c1-14(2)13-20(11-10-19(8)9)16(15(3)4)12-18-17(5,6)7/h14-16,18H,10-13H2,1-9H3
InChIKeyBAWNPUBRUVLQDC-UHFFFAOYSA-N
XLogP2.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine (CID 62426633) is 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine is CC(C)CN(CCN(C)C)C(CNC(C)(C)C)C(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is BAWNPUBRUVLQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-14(2)13-20(11-10-19(8)9)16(15(3)4)12-18-17(5,6)7/h14-16,18H,10-13H2,1-9H3.
What are the key properties of 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine?
1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 285.52 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 62426633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).