6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine

C13H27NO — CID 103028494

IUPAC6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
SMILESC=C(C)CC(CC(C)(C)OC)NCCC
InChIInChI=1S/C13H27NO/c1-7-8-14-12(9-11(2)3)10-13(4,5)15-6/h12,14H,2,7-10H2,1,3-6H3
InChIKeyLPDOHZDYVYTSMZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds8

About 6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine

6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine (PubChem CID 103028494) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine.

Molecular Properties

Compound Name6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
PubChem CID103028494
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine
SMILESC=C(C)CC(CC(C)(C)OC)NCCC
InChIInChI=1S/C13H27NO/c1-7-8-14-12(9-11(2)3)10-13(4,5)15-6/h12,14H,2,7-10H2,1,3-6H3
InChIKeyLPDOHZDYVYTSMZ-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

2-methyl-3-methylidene-N-propan-2-yl-6-propan-2-yloxyheptan-4-amine
CID 135274385
N-butyl-7-methoxy-3,7-dimethyloct-2-en-1-amine
CID 173413382
N-ethyl-1-methoxy-5-methylideneheptan-3-amine
CID 66038980
1-methoxy-5-methylidene-N-propylheptan-3-amine
CID 66038981
1-methoxy-N,5-dimethylhex-5-en-3-amine
CID 79179784
N-ethyl-1-methoxy-5-methylhex-5-en-3-amine
CID 79179984
1-methoxy-5-methyl-N-propylhex-5-en-3-amine
CID 79179985
N-ethyl-2-methoxy-2-methyl-5-methylideneheptan-3-amine
CID 79196993
2-methoxy-N,2,5-trimethylhex-5-en-3-amine
CID 79197082
N-ethyl-2-methoxy-2,5-dimethylhex-5-en-3-amine
CID 79197328
2-methoxy-2-methyl-N-propyloct-7-en-3-amine
CID 79197465
2-methoxy-N,2-dimethyloct-7-en-3-amine
CID 79197553

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine?
The IUPAC name of 6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine (CID 103028494) is 6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine.
What is the SMILES notation for 6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine?
The canonical SMILES for 6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine is C=C(C)CC(CC(C)(C)OC)NCCC.
What is the InChIKey of 6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine?
The InChIKey is LPDOHZDYVYTSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-8-14-12(9-11(2)3)10-13(4,5)15-6/h12,14H,2,7-10H2,1,3-6H3.
What are the key properties of 6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine?
6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,6-dimethyl-N-propylhept-1-en-4-amine is sourced from PubChem (CID 103028494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).