N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine

C13H27NO — CID 115919782

IUPACN-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine
SMILESCOCC(C)(C)NC(C)CCC=C(C)C
InChIInChI=1S/C13H27NO/c1-11(2)8-7-9-12(3)14-13(4,5)10-15-6/h8,12,14H,7,9-10H2,1-6H3
InChIKeyOVOXXXFDRKIMKF-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds7

About N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine

N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine (PubChem CID 115919782) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine
PubChem CID115919782
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine
SMILESCOCC(C)(C)NC(C)CCC=C(C)C
InChIInChI=1S/C13H27NO/c1-11(2)8-7-9-12(3)14-13(4,5)10-15-6/h8,12,14H,7,9-10H2,1-6H3
InChIKeyOVOXXXFDRKIMKF-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate
CID 115642073
3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide
CID 115929776
2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
CID 115595179
(2R)-1-(6-methylhept-5-en-2-ylamino)propan-2-ol
CID 103906843
2,2,3,7-tetramethyloct-6-enyl acetate
CID 155155943
(2R)-N-butyl-6-methylhept-5-en-2-amine
CID 121451100
3,3,4,8-tetramethylnon-7-en-2-ol
CID 58555248
dimethyl 2-(4-methylpent-3-enyl)propanedioate
CID 71348601
6-methoxy-2-methylhex-2-ene
CID 59087760
7-methoxy-2,6,6-trimethyloct-2-ene
CID 89306696
magnesium;(6S)-2,6-dimethyloct-2-ene;chloride
CID 164665719
tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate
CID 101433047

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine (CID 115919782) is N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine is COCC(C)(C)NC(C)CCC=C(C)C.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine?
The InChIKey is OVOXXXFDRKIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)8-7-9-12(3)14-13(4,5)10-15-6/h8,12,14H,7,9-10H2,1-6H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine?
N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine is sourced from PubChem (CID 115919782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).