N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine

C11H20N2O — CID 79270926

IUPACN'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCNC1CCCC1OC
InChIInChI=1S/C11H20N2O/c1-3-7-12-8-9-13-10-5-4-6-11(10)14-2/h1,10-13H,4-9H2,2H3
InChIKeyCPVWHNYPKDEHRO-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.37
Rot. Bonds6

About N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine

N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine (PubChem CID 79270926) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine
PubChem CID79270926
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCNC1CCCC1OC
InChIInChI=1S/C11H20N2O/c1-3-7-12-8-9-13-10-5-4-6-11(10)14-2/h1,10-13H,4-9H2,2H3
InChIKeyCPVWHNYPKDEHRO-UHFFFAOYSA-N
XLogP0.37
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine (CID 79270926) is N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine is C#CCNCCNC1CCCC1OC.
What is the InChIKey of N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is CPVWHNYPKDEHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-7-12-8-9-13-10-5-4-6-11(10)14-2/h1,10-13H,4-9H2,2H3.
What are the key properties of N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine?
N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxycyclopentyl)-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 79270926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).