N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine

C13H28N2 — CID 63966747

IUPACN-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine
SMILESCCC(C)(C)N(C)CC1CCCC1NC
InChIInChI=1S/C13H28N2/c1-6-13(2,3)15(5)10-11-8-7-9-12(11)14-4/h11-12,14H,6-10H2,1-5H3
InChIKeyYHCTYEVNEZWBFI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine

N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine (PubChem CID 63966747) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine
PubChem CID63966747
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine
SMILESCCC(C)(C)N(C)CC1CCCC1NC
InChIInChI=1S/C13H28N2/c1-6-13(2,3)15(5)10-11-8-7-9-12(11)14-4/h11-12,14H,6-10H2,1-5H3
InChIKeyYHCTYEVNEZWBFI-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine (CID 63966747) is N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine is CCC(C)(C)N(C)CC1CCCC1NC.
What is the InChIKey of N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine?
The InChIKey is YHCTYEVNEZWBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-13(2,3)15(5)10-11-8-7-9-12(11)14-4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine?
N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 63966747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).