1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane

C12H26N2 — CID 177036743

IUPAC1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane
SMILESC=C(N)C1(CC)CCCC1CN.CC
InChIInChI=1S/C10H20N2.C2H6/c1-3-10(8(2)12)6-4-5-9(10)7-11;1-2/h9H,2-7,11-12H2,1H3;1-2H3
InChIKeyPUGHFGUIHQXUTK-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane

1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane (PubChem CID 177036743) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane
PubChem CID177036743
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane
SMILESC=C(N)C1(CC)CCCC1CN.CC
InChIInChI=1S/C10H20N2.C2H6/c1-3-10(8(2)12)6-4-5-9(10)7-11;1-2/h9H,2-7,11-12H2,1H3;1-2H3
InChIKeyPUGHFGUIHQXUTK-UHFFFAOYSA-N
XLogP2.64
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane?
The IUPAC name of 1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane (CID 177036743) is 1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane.
What is the SMILES notation for 1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane?
The canonical SMILES for 1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane is C=C(N)C1(CC)CCCC1CN.CC.
What is the InChIKey of 1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane?
The InChIKey is PUGHFGUIHQXUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-3-10(8(2)12)6-4-5-9(10)7-11;1-2/h9H,2-7,11-12H2,1H3;1-2H3.
What are the key properties of 1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane?
1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane has a molecular weight of 198.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane is sourced from PubChem (CID 177036743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).