N-(4-methoxybutan-2-yl)octan-4-amine

C13H29NO — CID 103748088

IUPACN-(4-methoxybutan-2-yl)octan-4-amine
SMILESCCCCC(CCC)NC(C)CCOC
InChIInChI=1S/C13H29NO/c1-5-7-9-13(8-6-2)14-12(3)10-11-15-4/h12-14H,5-11H2,1-4H3
InChIKeyZMDFHGNRMGMNNW-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds10

About N-(4-methoxybutan-2-yl)octan-4-amine

N-(4-methoxybutan-2-yl)octan-4-amine (PubChem CID 103748088) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)octan-4-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)octan-4-amine
PubChem CID103748088
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(4-methoxybutan-2-yl)octan-4-amine
SMILESCCCCC(CCC)NC(C)CCOC
InChIInChI=1S/C13H29NO/c1-5-7-9-13(8-6-2)14-12(3)10-11-15-4/h12-14H,5-11H2,1-4H3
InChIKeyZMDFHGNRMGMNNW-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-4-ylheptan-2-amine
CID 43572732
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
N-nonan-5-ylnonan-5-amine
CID 86205180
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
N-(5-methylhexan-2-yl)heptan-4-amine
CID 43097819
N-butan-2-ylheptan-4-amine
CID 43190303
2-(4-methoxybutan-2-ylamino)pentanoic acid
CID 65055472
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
N-(1-methoxypentan-2-yl)hex-5-en-2-amine
CID 104655717
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine
CID 115891937
4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine
CID 103780265

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)octan-4-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)octan-4-amine (CID 103748088) is N-(4-methoxybutan-2-yl)octan-4-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)octan-4-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)octan-4-amine is CCCCC(CCC)NC(C)CCOC.
What is the InChIKey of N-(4-methoxybutan-2-yl)octan-4-amine?
The InChIKey is ZMDFHGNRMGMNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-7-9-13(8-6-2)14-12(3)10-11-15-4/h12-14H,5-11H2,1-4H3.
What are the key properties of N-(4-methoxybutan-2-yl)octan-4-amine?
N-(4-methoxybutan-2-yl)octan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)octan-4-amine is sourced from PubChem (CID 103748088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).