2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide

C14H29N3O2 — CID 146205216

IUPAC2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide
SMILESCCC/C(C)=C/C(C)(OC)N(C)N(C)CC(=O)NC
InChIInChI=1S/C14H29N3O2/c1-8-9-12(2)10-14(3,19-7)17(6)16(5)11-13(18)15-4/h10H,8-9,11H2,1-7H3,(H,15,18)/b12-10+
InChIKeySSERZVMWBDDCHZ-ZRDIBKRKSA-N
MW271.40 g/mol
LogP1.62
Rot. Bonds8

About 2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide

2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide (PubChem CID 146205216) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide
PubChem CID146205216
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide
SMILESCCC/C(C)=C/C(C)(OC)N(C)N(C)CC(=O)NC
InChIInChI=1S/C14H29N3O2/c1-8-9-12(2)10-14(3,19-7)17(6)16(5)11-13(18)15-4/h10H,8-9,11H2,1-7H3,(H,15,18)/b12-10+
InChIKeySSERZVMWBDDCHZ-ZRDIBKRKSA-N
XLogP1.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide (CID 146205216) is 2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide is CCC/C(C)=C/C(C)(OC)N(C)N(C)CC(=O)NC.
What is the InChIKey of 2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide?
The InChIKey is SSERZVMWBDDCHZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-8-9-12(2)10-14(3,19-7)17(6)16(5)11-13(18)15-4/h10H,8-9,11H2,1-7H3,(H,15,18)/b12-10+.
What are the key properties of 2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide?
2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide has a molecular weight of 271.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(E)-2-methoxy-4-methylhept-3-en-2-yl]-methylamino]-methylamino]-N-methylacetamide is sourced from PubChem (CID 146205216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).