1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol

C15H32N2O — CID 107408780

IUPAC1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol
SMILESCCNCC(C)(CC)CN1CCCC(C)(O)CC1
InChIInChI=1S/C15H32N2O/c1-5-14(3,12-16-6-2)13-17-10-7-8-15(4,18)9-11-17/h16,18H,5-13H2,1-4H3
InChIKeyDCYFKFKMLPNKJX-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol

1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol (PubChem CID 107408780) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol
PubChem CID107408780
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol
SMILESCCNCC(C)(CC)CN1CCCC(C)(O)CC1
InChIInChI=1S/C15H32N2O/c1-5-14(3,12-16-6-2)13-17-10-7-8-15(4,18)9-11-17/h16,18H,5-13H2,1-4H3
InChIKeyDCYFKFKMLPNKJX-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(ethylaminomethyl)-2-methylpentyl]-4-methylpiperidin-4-ol
CID 81116201
4-methyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 107407980
1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol
CID 107408778
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 65281916
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
CID 62260078
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63159648
1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol
CID 81115613
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-methylbutan-1-amine
CID 62271722
2-[(4-ethoxypiperidin-1-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 62257768
1-[2-(ethylamino)ethyl]-4-methylpiperidin-4-ol
CID 81103848
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 107395093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol (CID 107408780) is 1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol is CCNCC(C)(CC)CN1CCCC(C)(O)CC1.
What is the InChIKey of 1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol?
The InChIKey is DCYFKFKMLPNKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-14(3,12-16-6-2)13-17-10-7-8-15(4,18)9-11-17/h16,18H,5-13H2,1-4H3.
What are the key properties of 1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol?
1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107408780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).