(1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine

C15H28N2O — CID 134288485

IUPAC(1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine
SMILESC/C(=C\C=C(/N)OC(C)C)CCCN1CCCC1
InChIInChI=1S/C15H28N2O/c1-13(2)18-15(16)9-8-14(3)7-6-12-17-10-4-5-11-17/h8-9,13H,4-7,10-12,16H2,1-3H3/b14-8+,15-9+
InChIKeyDXXOHWFSMUSEBB-VOMDNODZSA-N
MW252.40 g/mol
LogP3.03
Rot. Bonds7

About (1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine

(1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine (PubChem CID 134288485) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine
PubChem CID134288485
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine
SMILESC/C(=C\C=C(/N)OC(C)C)CCCN1CCCC1
InChIInChI=1S/C15H28N2O/c1-13(2)18-15(16)9-8-14(3)7-6-12-17-10-4-5-11-17/h8-9,13H,4-7,10-12,16H2,1-3H3/b14-8+,15-9+
InChIKeyDXXOHWFSMUSEBB-VOMDNODZSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine
CID 134288594
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine
CID 118057989
1-(6-Ethoxy-4-methylidenehept-5-enyl)pyrrolidine
CID 123449819
6-Cyclopropyloxy-3-(3-pyrrolidin-1-ylpropyl)-1,2-dihydropyridine
CID 134288453
6-cyclopropyloxy-1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2H-pyridine
CID 134288593

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine (CID 134288485) is (1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine is C/C(=C\C=C(/N)OC(C)C)CCCN1CCCC1.
What is the InChIKey of (1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine?
The InChIKey is DXXOHWFSMUSEBB-VOMDNODZSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)18-15(16)9-8-14(3)7-6-12-17-10-4-5-11-17/h8-9,13H,4-7,10-12,16H2,1-3H3/b14-8+,15-9+.
What are the key properties of (1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine?
(1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine has a molecular weight of 252.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine is sourced from PubChem (CID 134288485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).