1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol

C13H29NO2 — CID 103729745

IUPAC1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCCCC(CCC)NCC(C)(O)CCOC
InChIInChI=1S/C13H29NO2/c1-5-7-12(8-6-2)14-11-13(3,15)9-10-16-4/h12,14-15H,5-11H2,1-4H3
InChIKeyNHCGZSHDGRWMFK-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.33
Rot. Bonds10

About 1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol

1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 103729745) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol
PubChem CID103729745
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCCCC(CCC)NCC(C)(O)CCOC
InChIInChI=1S/C13H29NO2/c1-5-7-12(8-6-2)14-11-13(3,15)9-10-16-4/h12,14-15H,5-11H2,1-4H3
InChIKeyNHCGZSHDGRWMFK-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]butanamide
CID 106254647
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pentanoic acid
CID 106249581
2-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 113245983
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321
methyl 2-hydroxy-3-(1-methoxypentan-2-ylamino)-2-methylpropanoate
CID 104644556
1-[1-(1-ethylpiperidin-4-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 106249309
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114164804
1-methoxy-3,5-dimethylheptan-3-ol
CID 65146816
4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 103784224
1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784328
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
1-methoxy-N-propylhexan-3-amine
CID 61412304

Frequently Asked Questions

What is the IUPAC name of 1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol (CID 103729745) is 1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol is CCCC(CCC)NCC(C)(O)CCOC.
What is the InChIKey of 1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is NHCGZSHDGRWMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-7-12(8-6-2)14-11-13(3,15)9-10-16-4/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol?
1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(heptan-4-ylamino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 103729745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).