1-(azepan-4-ylamino)-2-methylbutan-2-ol

C11H24N2O — CID 103982302

IUPAC1-(azepan-4-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1CCCNCC1
InChIInChI=1S/C11H24N2O/c1-3-11(2,14)9-13-10-5-4-7-12-8-6-10/h10,12-14H,3-9H2,1-2H3
InChIKeyXRQKGYANFZVGFO-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.88
Rot. Bonds4

About 1-(azepan-4-ylamino)-2-methylbutan-2-ol

1-(azepan-4-ylamino)-2-methylbutan-2-ol (PubChem CID 103982302) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(azepan-4-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(azepan-4-ylamino)-2-methylbutan-2-ol
PubChem CID103982302
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(azepan-4-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1CCCNCC1
InChIInChI=1S/C11H24N2O/c1-3-11(2,14)9-13-10-5-4-7-12-8-6-10/h10,12-14H,3-9H2,1-2H3
InChIKeyXRQKGYANFZVGFO-UHFFFAOYSA-N
XLogP0.88
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-methylbutyl)piperidin-4-amine
CID 134219851
N-(2,2-dimethylbutyl)piperidin-4-amine
CID 103460712
2-methyl-1-[(4-propan-2-ylcycloheptyl)amino]butan-2-ol
CID 65102608
1-(azepan-4-ylamino)propan-2-ol
CID 103980928
N-(2-cyclohexyl-2-methylpropyl)piperidin-4-amine
CID 115118581
2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
CID 65107935
2-N,2-N,2-trimethyl-1-N-piperidin-4-ylpropane-1,2-diamine
CID 61015538
3-[(cyclododecylamino)methyl]pentan-3-ol
CID 65105202
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
1-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutan-2-ol
CID 106361004
4-(azepan-4-ylamino)butan-2-ol
CID 103982285
3-(cyclopropylamino)-2-methylpropane-1,2-diol
CID 66335197

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-4-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(azepan-4-ylamino)-2-methylbutan-2-ol (CID 103982302) is 1-(azepan-4-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(azepan-4-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(azepan-4-ylamino)-2-methylbutan-2-ol is CCC(C)(O)CNC1CCCNCC1.
What is the InChIKey of 1-(azepan-4-ylamino)-2-methylbutan-2-ol?
The InChIKey is XRQKGYANFZVGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-11(2,14)9-13-10-5-4-7-12-8-6-10/h10,12-14H,3-9H2,1-2H3.
What are the key properties of 1-(azepan-4-ylamino)-2-methylbutan-2-ol?
1-(azepan-4-ylamino)-2-methylbutan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-4-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 103982302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).