3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine

C11H24N2 — CID 79467905

IUPAC3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine
SMILESCCCC(C)N(C)C1CCC(N)C1
InChIInChI=1S/C11H24N2/c1-4-5-9(2)13(3)11-7-6-10(12)8-11/h9-11H,4-8,12H2,1-3H3
InChIKeyORXAMSXSJAUKAX-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.99
Rot. Bonds4

About 3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine

3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine (PubChem CID 79467905) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine
PubChem CID79467905
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine
SMILESCCCC(C)N(C)C1CCC(N)C1
InChIInChI=1S/C11H24N2/c1-4-5-9(2)13(3)11-7-6-10(12)8-11/h9-11H,4-8,12H2,1-3H3
InChIKeyORXAMSXSJAUKAX-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine (CID 79467905) is 3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine is CCCC(C)N(C)C1CCC(N)C1.
What is the InChIKey of 3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine?
The InChIKey is ORXAMSXSJAUKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-5-9(2)13(3)11-7-6-10(12)8-11/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine?
3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine is sourced from PubChem (CID 79467905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).