(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane

C14H25NO — CID 163265833

IUPAC(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane
SMILESC=C(C)/C=C(/OC1CC1)C(N)=C(C)C.CC
InChIInChI=1S/C12H19NO.C2H6/c1-8(2)7-11(12(13)9(3)4)14-10-5-6-10;1-2/h7,10H,1,5-6,13H2,2-4H3;1-2H3/b11-7+;
InChIKeyKATODSRCKNMMGP-RVDQCCQOSA-N
MW223.36 g/mol
LogP3.90
Rot. Bonds4

About (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane

(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane (PubChem CID 163265833) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane.

Molecular Properties

Compound Name(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane
PubChem CID163265833
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane
SMILESC=C(C)/C=C(/OC1CC1)C(N)=C(C)C.CC
InChIInChI=1S/C12H19NO.C2H6/c1-8(2)7-11(12(13)9(3)4)14-10-5-6-10;1-2/h7,10H,1,5-6,13H2,2-4H3;1-2H3/b11-7+;
InChIKeyKATODSRCKNMMGP-RVDQCCQOSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane?
The IUPAC name of (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane (CID 163265833) is (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane.
What is the SMILES notation for (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane?
The canonical SMILES for (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane is C=C(C)/C=C(/OC1CC1)C(N)=C(C)C.CC.
What is the InChIKey of (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane?
The InChIKey is KATODSRCKNMMGP-RVDQCCQOSA-N. The full InChI is InChI=1S/C12H19NO.C2H6/c1-8(2)7-11(12(13)9(3)4)14-10-5-6-10;1-2/h7,10H,1,5-6,13H2,2-4H3;1-2H3/b11-7+;.
What are the key properties of (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane?
(4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane has a molecular weight of 223.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-cyclopropyloxy-2,6-dimethylhepta-2,4,6-trien-3-amine;ethane is sourced from PubChem (CID 163265833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).