(Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine

C12H21NO — CID 102652357

IUPAC(Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)C1=CCCO1
InChIInChI=1S/C12H21NO/c1-10(2)13-8-4-6-11(3)12-7-5-9-14-12/h6-7,10,13H,4-5,8-9H2,1-3H3/b11-6-
InChIKeyHPDOEYSMFQMILZ-WDZFZDKYSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds5

About (Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine

(Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 102652357) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID102652357
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)C1=CCCO1
InChIInChI=1S/C12H21NO/c1-10(2)13-8-4-6-11(3)12-7-5-9-14-12/h6-7,10,13H,4-5,8-9H2,1-3H3/b11-6-
InChIKeyHPDOEYSMFQMILZ-WDZFZDKYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
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 (Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of (Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine (CID 102652357) is (Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine is C/C(=C/CCNC(C)C)C1=CCCO1.
What is the InChIKey of (Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is HPDOEYSMFQMILZ-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)13-8-4-6-11(3)12-7-5-9-14-12/h6-7,10,13H,4-5,8-9H2,1-3H3/b11-6-.
What are the key properties of (Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine?
(Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 102652357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).