1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C14H28N4O — CID 111812074

IUPAC1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1(C/N=C(\N)NC(C)(C)C)CCCC1
InChIInChI=1S/C14H28N4O/c1-13(2,3)17-12(15)16-10-14(8-6-7-9-14)11(19)18(4)5/h6-10H2,1-5H3,(H3,15,16,17)
InChIKeySTIBBIWPCVARAC-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.34
Rot. Bonds3

About 1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111812074) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111812074
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCN(C)C(=O)C1(C/N=C(\N)NC(C)(C)C)CCCC1
InChIInChI=1S/C14H28N4O/c1-13(2,3)17-12(15)16-10-14(8-6-7-9-14)11(19)18(4)5/h6-10H2,1-5H3,(H3,15,16,17)
InChIKeySTIBBIWPCVARAC-UHFFFAOYSA-N
XLogP1.34
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 119147730
1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812072
1-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812062
1-[[[amino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111123564
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 62361793
1-tert-butyl-2-[(1-methylsulfanylcyclobutyl)methyl]guanidine;hydroiodide
CID 120605845
1-tert-butyl-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]guanidine
CID 122099394
1-[[[butylamino(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571749
1-tert-butyl-2-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]guanidine
CID 111094844
1-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 120661703
1-[[[[3-(diethylamino)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571671

Frequently Asked Questions

What is the IUPAC name of 1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111812074) is 1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CN(C)C(=O)C1(C/N=C(\N)NC(C)(C)C)CCCC1.
What is the InChIKey of 1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is STIBBIWPCVARAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-13(2,3)17-12(15)16-10-14(8-6-7-9-14)11(19)18(4)5/h6-10H2,1-5H3,(H3,15,16,17).
What are the key properties of 1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111812074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).