3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine

C13H28N2 — CID 112556001

IUPAC3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
SMILESCC1(CNCC(N)C(C)(C)C)CCCC1
InChIInChI=1S/C13H28N2/c1-12(2,3)11(14)9-15-10-13(4)7-5-6-8-13/h11,15H,5-10,14H2,1-4H3
InChIKeyLXFRUBGWCRUZJF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.53
Rot. Bonds4

About 3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine

3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine (PubChem CID 112556001) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
PubChem CID112556001
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
SMILESCC1(CNCC(N)C(C)(C)C)CCCC1
InChIInChI=1S/C13H28N2/c1-12(2,3)11(14)9-15-10-13(4)7-5-6-8-13/h11,15H,5-10,14H2,1-4H3
InChIKeyLXFRUBGWCRUZJF-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246
3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
CID 112556025
2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 115426986
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
CID 63821690
2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine
CID 114094981
N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 63829803
2-methoxy-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 106114849
3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine
CID 115892765
3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine
CID 63821289
N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313172
3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 112555935

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine?
The IUPAC name of 3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine (CID 112556001) is 3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine?
The canonical SMILES for 3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine is CC1(CNCC(N)C(C)(C)C)CCCC1.
What is the InChIKey of 3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine?
The InChIKey is LXFRUBGWCRUZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2,3)11(14)9-15-10-13(4)7-5-6-8-13/h11,15H,5-10,14H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine?
3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 112556001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).