4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol

C15H32N2O — CID 64899056

IUPAC4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CN1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-15(2,3)13-6-5-9-17(10-7-13)12-14(16-4)8-11-18/h13-14,16,18H,5-12H2,1-4H3
InChIKeyYMEPONSGNZQLCY-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.11
Rot. Bonds5

About 4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol

4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol (PubChem CID 64899056) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol
PubChem CID64899056
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol
SMILESCNC(CCO)CN1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-15(2,3)13-6-5-9-17(10-7-13)12-14(16-4)8-11-18/h13-14,16,18H,5-12H2,1-4H3
InChIKeyYMEPONSGNZQLCY-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol?
The IUPAC name of 4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol (CID 64899056) is 4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol is CNC(CCO)CN1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol?
The InChIKey is YMEPONSGNZQLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-15(2,3)13-6-5-9-17(10-7-13)12-14(16-4)8-11-18/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol?
4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylazepan-1-yl)-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64899056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).