1-N'-ethyl-2-methylcyclopentane-1,1-diamine

C8H18N2 — CID 174580018

IUPAC1-N'-ethyl-2-methylcyclopentane-1,1-diamine
SMILESCCNC1(N)CCCC1C
InChIInChI=1S/C8H18N2/c1-3-10-8(9)6-4-5-7(8)2/h7,10H,3-6,9H2,1-2H3
InChIKeyHGKHGWMUSVJGRG-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.07
Rot. Bonds2

About 1-N'-ethyl-2-methylcyclopentane-1,1-diamine

1-N'-ethyl-2-methylcyclopentane-1,1-diamine (PubChem CID 174580018) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N'-ethyl-2-methylcyclopentane-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-2-methylcyclopentane-1,1-diamine
PubChem CID174580018
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N'-ethyl-2-methylcyclopentane-1,1-diamine
SMILESCCNC1(N)CCCC1C
InChIInChI=1S/C8H18N2/c1-3-10-8(9)6-4-5-7(8)2/h7,10H,3-6,9H2,1-2H3
InChIKeyHGKHGWMUSVJGRG-UHFFFAOYSA-N
XLogP1.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-2-methylcyclopentane-1,1-diamine?
The IUPAC name of 1-N'-ethyl-2-methylcyclopentane-1,1-diamine (CID 174580018) is 1-N'-ethyl-2-methylcyclopentane-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-2-methylcyclopentane-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-2-methylcyclopentane-1,1-diamine is CCNC1(N)CCCC1C.
What is the InChIKey of 1-N'-ethyl-2-methylcyclopentane-1,1-diamine?
The InChIKey is HGKHGWMUSVJGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-10-8(9)6-4-5-7(8)2/h7,10H,3-6,9H2,1-2H3.
What are the key properties of 1-N'-ethyl-2-methylcyclopentane-1,1-diamine?
1-N'-ethyl-2-methylcyclopentane-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-2-methylcyclopentane-1,1-diamine is sourced from PubChem (CID 174580018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).