1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine

C14H26N2S — CID 79408522

IUPAC1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
SMILESCNCC(C)C(C)N(Cc1cccs1)C(C)C
InChIInChI=1S/C14H26N2S/c1-11(2)16(10-14-7-6-8-17-14)13(4)12(3)9-15-5/h6-8,11-13,15H,9-10H2,1-5H3
InChIKeyFCOHZPDTZRRGTH-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.20
Rot. Bonds7

About 1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine

1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine (PubChem CID 79408522) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
PubChem CID79408522
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
SMILESCNCC(C)C(C)N(Cc1cccs1)C(C)C
InChIInChI=1S/C14H26N2S/c1-11(2)16(10-14-7-6-8-17-14)13(4)12(3)9-15-5/h6-8,11-13,15H,9-10H2,1-5H3
InChIKeyFCOHZPDTZRRGTH-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62462705
2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
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-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-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62463060
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330
1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568174
1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79409024
2-[propan-2-yl(thiophen-2-ylmethyl)amino]propanehydrazide
CID 63583861
3-methoxy-2-N-propan-2-yl-1-N-propyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226159

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine (CID 79408522) is 1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine is CNCC(C)C(C)N(Cc1cccs1)C(C)C.
What is the InChIKey of 1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
The InChIKey is FCOHZPDTZRRGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11(2)16(10-14-7-6-8-17-14)13(4)12(3)9-15-5/h6-8,11-13,15H,9-10H2,1-5H3.
What are the key properties of 1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine?
1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 79408522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).