1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine

C16H30N2S — CID 62463060

IUPAC1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H30N2S/c1-7-14(11-17-16(4,5)6)18(13(2)3)12-15-9-8-10-19-15/h8-10,13-14,17H,7,11-12H2,1-6H3
InChIKeyBSWRSYQBTPFUIE-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.13
Rot. Bonds7

About 1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine

1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine (PubChem CID 62463060) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
PubChem CID62463060
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(Cc1cccs1)C(C)C
InChIInChI=1S/C16H30N2S/c1-7-14(11-17-16(4,5)6)18(13(2)3)12-15-9-8-10-19-15/h8-10,13-14,17H,7,11-12H2,1-6H3
InChIKeyBSWRSYQBTPFUIE-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62462705
1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79494868
1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79409024
3-methoxy-2-N-propan-2-yl-1-N-propyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226159
1-N-(3-methylbutyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087518
1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570543
1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79408522
1-N-pentan-2-yl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62567811
1-N-cyclopropyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55072330
1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103225052
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine
CID 79486169
1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568174

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine (CID 62463060) is 1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine is CCC(CNC(C)(C)C)N(Cc1cccs1)C(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
The InChIKey is BSWRSYQBTPFUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-7-14(11-17-16(4,5)6)18(13(2)3)12-15-9-8-10-19-15/h8-10,13-14,17H,7,11-12H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine?
1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine has a molecular weight of 282.50 g/mol, XLogP of 4.13, 7 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-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62463060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).