N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine

C13H29NO — CID 115892885

IUPACN-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine
SMILESCCC(COC)NCC(C)(C)CC(C)C
InChIInChI=1S/C13H29NO/c1-7-12(9-15-6)14-10-13(4,5)8-11(2)3/h11-12,14H,7-10H2,1-6H3
InChIKeyIBJYXTNMENTDGF-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds8

About N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine

N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine (PubChem CID 115892885) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine
PubChem CID115892885
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine
SMILESCCC(COC)NCC(C)(C)CC(C)C
InChIInChI=1S/C13H29NO/c1-7-12(9-15-6)14-10-13(4,5)8-11(2)3/h11-12,14H,7-10H2,1-6H3
InChIKeyIBJYXTNMENTDGF-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine
CID 115892877
N-(1-methoxypropan-2-yl)-2,2-dimethylbutan-1-amine
CID 103460407
N-(1-methoxybutan-2-yl)hydroxylamine
CID 54458429
N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine
CID 115889765
5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol
CID 115891878
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pentanenitrile
CID 81411049
N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine
CID 62725752
methyl 2-[(2,2,4-trimethylpentylamino)methyl]butanoate
CID 115253272
1-(1-hydroxybutan-2-yl)-3-(2,2,4-trimethylpentyl)urea
CID 111933174
N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257806
1-(3,3-dimethylbutoxy)-N-ethylbutan-2-amine
CID 66231555
N-(2-but-3-enoxyethyl)-1-methoxybutan-2-amine
CID 103905015

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine (CID 115892885) is N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine is CCC(COC)NCC(C)(C)CC(C)C.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine?
The InChIKey is IBJYXTNMENTDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-12(9-15-6)14-10-13(4,5)8-11(2)3/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine?
N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine is sourced from PubChem (CID 115892885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).