N-(2-propoxyethyl)pent-1-en-2-amine

C10H21NO — CID 138501964

IUPACN-(2-propoxyethyl)pent-1-en-2-amine
SMILESC=C(CCC)NCCOCCC
InChIInChI=1S/C10H21NO/c1-4-6-10(3)11-7-9-12-8-5-2/h11H,3-9H2,1-2H3
InChIKeyOKRVCXJFCWQDBS-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds8

About N-(2-propoxyethyl)pent-1-en-2-amine

N-(2-propoxyethyl)pent-1-en-2-amine (PubChem CID 138501964) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(2-propoxyethyl)pent-1-en-2-amine.

Molecular Properties

Compound NameN-(2-propoxyethyl)pent-1-en-2-amine
PubChem CID138501964
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2-propoxyethyl)pent-1-en-2-amine
SMILESC=C(CCC)NCCOCCC
InChIInChI=1S/C10H21NO/c1-4-6-10(3)11-7-9-12-8-5-2/h11H,3-9H2,1-2H3
InChIKeyOKRVCXJFCWQDBS-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyethyl)pent-1-en-2-amine?
The IUPAC name of N-(2-propoxyethyl)pent-1-en-2-amine (CID 138501964) is N-(2-propoxyethyl)pent-1-en-2-amine.
What is the SMILES notation for N-(2-propoxyethyl)pent-1-en-2-amine?
The canonical SMILES for N-(2-propoxyethyl)pent-1-en-2-amine is C=C(CCC)NCCOCCC.
What is the InChIKey of N-(2-propoxyethyl)pent-1-en-2-amine?
The InChIKey is OKRVCXJFCWQDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(3)11-7-9-12-8-5-2/h11H,3-9H2,1-2H3.
What are the key properties of N-(2-propoxyethyl)pent-1-en-2-amine?
N-(2-propoxyethyl)pent-1-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyethyl)pent-1-en-2-amine is sourced from PubChem (CID 138501964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).