(Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine

C13H25NO — CID 107138010

IUPAC(Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)C1CCCOC1
InChIInChI=1S/C13H25NO/c1-11(2)14-8-4-6-12(3)13-7-5-9-15-10-13/h6,11,13-14H,4-5,7-10H2,1-3H3/b12-6-
InChIKeyREBLJVVUFMTSBM-SDQBBNPISA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds5

About (Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine

(Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 107138010) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID107138010
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESC/C(=C/CCNC(C)C)C1CCCOC1
InChIInChI=1S/C13H25NO/c1-11(2)14-8-4-6-12(3)13-7-5-9-15-10-13/h6,11,13-14H,4-5,7-10H2,1-3H3/b12-6-
InChIKeyREBLJVVUFMTSBM-SDQBBNPISA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-4-(oxolan-3-yl)pent-3-en-1-amine
CID 79606970
4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 79599390
(3S)-3-prop-1-en-2-yloxane
CID 154017208
(3R)-oxane-3-carbothioamide
CID 96581763
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate
CID 105468455
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
(Z)-4-(2,3-dihydrofuran-5-yl)-N-propan-2-ylpent-3-en-1-amine
CID 102652357
2-methyl-4-(oxan-3-yl)-4-oxobutanoic acid
CID 63738780

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of (Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine (CID 107138010) is (Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine is C/C(=C/CCNC(C)C)C1CCCOC1.
What is the InChIKey of (Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is REBLJVVUFMTSBM-SDQBBNPISA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)14-8-4-6-12(3)13-7-5-9-15-10-13/h6,11,13-14H,4-5,7-10H2,1-3H3/b12-6-.
What are the key properties of (Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine?
(Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 107138010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).