N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C14H24N2S — CID 103069350

IUPACN-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)Cc1cccs1
InChIInChI=1S/C14H24N2S/c1-12(9-15-14(2,3)4)10-16(5)11-13-7-6-8-17-13/h6-8,15H,1,9-11H2,2-5H3
InChIKeyRXRAELUXPKDHEG-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.12
Rot. Bonds6

About N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 103069350) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID103069350
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)Cc1cccs1
InChIInChI=1S/C14H24N2S/c1-12(9-15-14(2,3)4)10-16(5)11-13-7-6-8-17-13/h6-8,15H,1,9-11H2,2-5H3
InChIKeyRXRAELUXPKDHEG-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 103069346
2-(chloromethyl)-N-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 103067645
2-methyl-N-[[6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905820
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
2-methyl-N-[[1-[2-[methyl(thiophen-2-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421356
1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79409024
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740652
2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 55051533

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 103069350) is N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is C=C(CNC(C)(C)C)CN(C)Cc1cccs1.
What is the InChIKey of N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is RXRAELUXPKDHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12(9-15-14(2,3)4)10-16(5)11-13-7-6-8-17-13/h6-8,15H,1,9-11H2,2-5H3.
What are the key properties of N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 103069350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).