N-prop-2-ynoxycyclopentanamine

C8H13NO — CID 130671422

IUPACN-prop-2-ynoxycyclopentanamine
SMILESC#CCONC1CCCC1
InChIInChI=1S/C8H13NO/c1-2-7-10-9-8-5-3-4-6-8/h1,8-9H,3-7H2
InChIKeyXGFUZUAMOVROSV-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.08
Rot. Bonds3

About N-prop-2-ynoxycyclopentanamine

N-prop-2-ynoxycyclopentanamine (PubChem CID 130671422) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-prop-2-ynoxycyclopentanamine.

Molecular Properties

Compound NameN-prop-2-ynoxycyclopentanamine
PubChem CID130671422
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-prop-2-ynoxycyclopentanamine
SMILESC#CCONC1CCCC1
InChIInChI=1S/C8H13NO/c1-2-7-10-9-8-5-3-4-6-8/h1,8-9H,3-7H2
InChIKeyXGFUZUAMOVROSV-UHFFFAOYSA-N
XLogP1.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-oxo-N-prop-2-ynoxythian-4-amine
CID 130857194
3,5-dimethyl-N-prop-2-ynoxycyclohexan-1-amine
CID 130674258
prop-2-ynyl N-cyclohexylsulfamate
CID 123876723
N-(2-methylpropoxy)cyclopentanamine
CID 82709938
N-prop-2-enoxycyclopentanamine
CID 130667852
N-(methoxymethoxy)cyclohexanamine
CID 87845817
N-prop-2-enoxycyclohexanamine
CID 131227373
N-(2-methoxyethoxy)cyclohexanamine
CID 82712676
2-(cyclopentylamino)oxyacetamide
CID 112639582
tert-butyl 3-(prop-2-ynoxyamino)azetidine-1-carboxylate
CID 131181510
prop-2-ynoxymethoxycycloundecane
CID 21496345
N-(2-methylpropoxy)cyclobutanamine
CID 82712780

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynoxycyclopentanamine?
The IUPAC name of N-prop-2-ynoxycyclopentanamine (CID 130671422) is N-prop-2-ynoxycyclopentanamine.
What is the SMILES notation for N-prop-2-ynoxycyclopentanamine?
The canonical SMILES for N-prop-2-ynoxycyclopentanamine is C#CCONC1CCCC1.
What is the InChIKey of N-prop-2-ynoxycyclopentanamine?
The InChIKey is XGFUZUAMOVROSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-7-10-9-8-5-3-4-6-8/h1,8-9H,3-7H2.
What are the key properties of N-prop-2-ynoxycyclopentanamine?
N-prop-2-ynoxycyclopentanamine has a molecular weight of 139.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynoxycyclopentanamine is sourced from PubChem (CID 130671422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).