3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine

C17H34N2O — CID 115706769

IUPAC3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine
SMILESCOC(C)C(C)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-15(16(2)20-3)18-14-17(10-6-4-7-11-17)19-12-8-5-9-13-19/h15-16,18H,4-14H2,1-3H3
InChIKeyJMNNOTCKINNMSF-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.19
Rot. Bonds6

About 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine

3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine (PubChem CID 115706769) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine
PubChem CID115706769
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine
SMILESCOC(C)C(C)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-15(16(2)20-3)18-14-17(10-6-4-7-11-17)19-12-8-5-9-13-19/h15-16,18H,4-14H2,1-3H3
InChIKeyJMNNOTCKINNMSF-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine
CID 115909205
N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
CID 121207930
1-[(3-methoxybutan-2-ylamino)methyl]cyclobutan-1-ol
CID 115718567
N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
CID 163582901
(2S)-1-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]propan-2-amine
CID 95132389
N-[2-(azepan-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115708434
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine
CID 43100305
N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride
CID 21409916
N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine
CID 60692485
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine
CID 115707779
methyl 2-methyl-3-[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]propanoate;hydroiodide
CID 111292738

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine (CID 115706769) is 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine is COC(C)C(C)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine?
The InChIKey is JMNNOTCKINNMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(16(2)20-3)18-14-17(10-6-4-7-11-17)19-12-8-5-9-13-19/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine?
3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine has a molecular weight of 282.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine is sourced from PubChem (CID 115706769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).