N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine

C16H29NO — CID 169094955

IUPACN-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NC(C)COC=C
InChIInChI=1S/C16H29NO/c1-7-10-16(6,11-8-2)12-14(4)17-15(5)13-18-9-3/h7-9,14-15,17H,1-3,10-13H2,4-6H3
InChIKeyOGAWKWLHUHMOPG-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.06
Rot. Bonds11

About N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine

N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine (PubChem CID 169094955) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine.

Molecular Properties

Compound NameN-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
PubChem CID169094955
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NC(C)COC=C
InChIInChI=1S/C16H29NO/c1-7-10-16(6,11-8-2)12-14(4)17-15(5)13-18-9-3/h7-9,14-15,17H,1-3,10-13H2,4-6H3
InChIKeyOGAWKWLHUHMOPG-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The IUPAC name of N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine (CID 169094955) is N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine.
What is the SMILES notation for N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The canonical SMILES for N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine is C=CCC(C)(CC=C)CC(C)NC(C)COC=C.
What is the InChIKey of N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine?
The InChIKey is OGAWKWLHUHMOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-7-10-16(6,11-8-2)12-14(4)17-15(5)13-18-9-3/h7-9,14-15,17H,1-3,10-13H2,4-6H3.
What are the key properties of N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine?
N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine has a molecular weight of 251.41 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenoxypropan-2-yl)-4-methyl-4-prop-2-enylhept-6-en-2-amine is sourced from PubChem (CID 169094955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).