1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine

C16H31NO — CID 114190665

IUPAC1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine
SMILESCCCNC(CC#CC(C)(C)C)CC(C)COC
InChIInChI=1S/C16H31NO/c1-7-11-17-15(12-14(2)13-18-6)9-8-10-16(3,4)5/h14-15,17H,7,9,11-13H2,1-6H3
InChIKeyFOTDNNRBHNNYSF-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.47
Rot. Bonds8

About 1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine

1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine (PubChem CID 114190665) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine.

Molecular Properties

Compound Name1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine
PubChem CID114190665
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine
SMILESCCCNC(CC#CC(C)(C)C)CC(C)COC
InChIInChI=1S/C16H31NO/c1-7-11-17-15(12-14(2)13-18-6)9-8-10-16(3,4)5/h14-15,17H,7,9,11-13H2,1-6H3
InChIKeyFOTDNNRBHNNYSF-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-propylundec-3-yn-6-amine
CID 114190619
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
1-methoxy-2-methyl-N-propylnon-8-yn-4-amine
CID 105179592
1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
1-N-(3,3-dimethylbutan-2-yl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505584
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973
1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105168927
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105158603
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 102866601
1-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105162393

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine?
The IUPAC name of 1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine (CID 114190665) is 1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine.
What is the SMILES notation for 1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine?
The canonical SMILES for 1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine is CCCNC(CC#CC(C)(C)C)CC(C)COC.
What is the InChIKey of 1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine?
The InChIKey is FOTDNNRBHNNYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-7-11-17-15(12-14(2)13-18-6)9-8-10-16(3,4)5/h14-15,17H,7,9,11-13H2,1-6H3.
What are the key properties of 1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine?
1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine has a molecular weight of 253.43 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine is sourced from PubChem (CID 114190665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).