1-methoxy-2-methyl-N-propylnon-8-yn-4-amine

C14H27NO — CID 105179592

IUPAC1-methoxy-2-methyl-N-propylnon-8-yn-4-amine
SMILESC#CCCCC(CC(C)COC)NCCC
InChIInChI=1S/C14H27NO/c1-5-7-8-9-14(15-10-6-2)11-13(3)12-16-4/h1,13-15H,6-12H2,2-4H3
InChIKeyBPZZPAISYIIJRB-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds10

About 1-methoxy-2-methyl-N-propylnon-8-yn-4-amine

1-methoxy-2-methyl-N-propylnon-8-yn-4-amine (PubChem CID 105179592) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-methoxy-2-methyl-N-propylnon-8-yn-4-amine.

Molecular Properties

Compound Name1-methoxy-2-methyl-N-propylnon-8-yn-4-amine
PubChem CID105179592
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-methoxy-2-methyl-N-propylnon-8-yn-4-amine
SMILESC#CCCCC(CC(C)COC)NCCC
InChIInChI=1S/C14H27NO/c1-5-7-8-9-14(15-10-6-2)11-13(3)12-16-4/h1,13-15H,6-12H2,2-4H3
InChIKeyBPZZPAISYIIJRB-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
5-methoxy-4-methyl-N-propylpentan-2-amine
CID 79569722
1-methoxy-2,8,8-trimethyl-N-propylnon-6-yn-4-amine
CID 114190665
N-propylundec-1-yn-5-amine
CID 115859385
N-propylhexadec-1-yn-5-amine
CID 115859157
N-propyldodec-1-yn-5-amine
CID 115859300
4-methyl-N-propyldec-9-yn-5-amine
CID 105034144
1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine
CID 103169441
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093
1-butoxy-5-methyl-N-propylhexan-3-amine
CID 115003182
N-hex-5-ynylheptan-3-amine
CID 103903630
6-methyldodec-1-yne
CID 123369200

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-N-propylnon-8-yn-4-amine?
The IUPAC name of 1-methoxy-2-methyl-N-propylnon-8-yn-4-amine (CID 105179592) is 1-methoxy-2-methyl-N-propylnon-8-yn-4-amine.
What is the SMILES notation for 1-methoxy-2-methyl-N-propylnon-8-yn-4-amine?
The canonical SMILES for 1-methoxy-2-methyl-N-propylnon-8-yn-4-amine is C#CCCCC(CC(C)COC)NCCC.
What is the InChIKey of 1-methoxy-2-methyl-N-propylnon-8-yn-4-amine?
The InChIKey is BPZZPAISYIIJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-7-8-9-14(15-10-6-2)11-13(3)12-16-4/h1,13-15H,6-12H2,2-4H3.
What are the key properties of 1-methoxy-2-methyl-N-propylnon-8-yn-4-amine?
1-methoxy-2-methyl-N-propylnon-8-yn-4-amine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-N-propylnon-8-yn-4-amine is sourced from PubChem (CID 105179592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).