7-butyl-7-methoxyundecan-5-amine

C16H35NO — CID 140593004

IUPAC7-butyl-7-methoxyundecan-5-amine
SMILESCCCCC(N)CC(CCCC)(CCCC)OC
InChIInChI=1S/C16H35NO/c1-5-8-11-15(17)14-16(18-4,12-9-6-2)13-10-7-3/h15H,5-14,17H2,1-4H3
InChIKeyDTECSXSFGVVNAM-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.66
Rot. Bonds12

About 7-butyl-7-methoxyundecan-5-amine

7-butyl-7-methoxyundecan-5-amine (PubChem CID 140593004) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 7-butyl-7-methoxyundecan-5-amine.

Molecular Properties

Compound Name7-butyl-7-methoxyundecan-5-amine
PubChem CID140593004
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name7-butyl-7-methoxyundecan-5-amine
SMILESCCCCC(N)CC(CCCC)(CCCC)OC
InChIInChI=1S/C16H35NO/c1-5-8-11-15(17)14-16(18-4,12-9-6-2)13-10-7-3/h15H,5-14,17H2,1-4H3
InChIKeyDTECSXSFGVVNAM-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-amine
CID 103028746
4-Amino-2-methylnonadecan-2-ol
CID 54338746
(4R)-2-methoxy-2-methylheptan-4-amine
CID 59383057
4-(2-Aminoethyl)hexacosan-4-ol
CID 87068470
1-(2-Ethyloxiran-2-yl)pentan-1-amine
CID 88196460
8-Methoxy-4,8-dimethylnonan-1-amine
CID 88258649
8-(6-Aminohexoxy)-8-methylnonan-1-amine
CID 88529911
13-Methoxy-13-methyltetradecan-1-amine
CID 118461497
3-(6-Methyldodecan-6-yloxy)cyclobutan-1-amine
CID 130315015
4-(5-Methyldodecan-5-yloxy)butan-1-amine
CID 130456378
6-Methoxy-6-methyloctane-1,5-diamine
CID 138659080
10-Amino-9-methyloctadecan-9-ol
CID 139722361

Frequently Asked Questions

What is the IUPAC name of 7-butyl-7-methoxyundecan-5-amine?
The IUPAC name of 7-butyl-7-methoxyundecan-5-amine (CID 140593004) is 7-butyl-7-methoxyundecan-5-amine.
What is the SMILES notation for 7-butyl-7-methoxyundecan-5-amine?
The canonical SMILES for 7-butyl-7-methoxyundecan-5-amine is CCCCC(N)CC(CCCC)(CCCC)OC.
What is the InChIKey of 7-butyl-7-methoxyundecan-5-amine?
The InChIKey is DTECSXSFGVVNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-5-8-11-15(17)14-16(18-4,12-9-6-2)13-10-7-3/h15H,5-14,17H2,1-4H3.
What are the key properties of 7-butyl-7-methoxyundecan-5-amine?
7-butyl-7-methoxyundecan-5-amine has a molecular weight of 257.46 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-7-methoxyundecan-5-amine is sourced from PubChem (CID 140593004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).