3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine

C17H29N3O — CID 80740106

IUPAC3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
SMILESCCN1CCC(N(C)c2cc(N)cc(OC(C)C)c2)CC1
InChIInChI=1S/C17H29N3O/c1-5-20-8-6-15(7-9-20)19(4)16-10-14(18)11-17(12-16)21-13(2)3/h10-13,15H,5-9,18H2,1-4H3
InChIKeyXNCKOFLPSGWKFY-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.98
Rot. Bonds5

About 3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine

3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80740106) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80740106
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
SMILESCCN1CCC(N(C)c2cc(N)cc(OC(C)C)c2)CC1
InChIInChI=1S/C17H29N3O/c1-5-20-8-6-15(7-9-20)19(4)16-10-14(18)11-17(12-16)21-13(2)3/h10-13,15H,5-9,18H2,1-4H3
InChIKeyXNCKOFLPSGWKFY-UHFFFAOYSA-N
XLogP2.98
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-methyl-5-propan-2-yloxy-3-N-(thiolan-3-yl)benzene-1,3-diamine
CID 80722163
3-N-cyclopropyl-5-propan-2-yloxy-3-N-propylbenzene-1,3-diamine
CID 80722008
3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 55004205
3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol
CID 80735488
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,3-diamine
CID 62912336
3-N-ethyl-3-N-(2-ethylbutyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80731502
3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80731070
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propan-2-yloxybenzene-1,3-diamine
CID 102991115
4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine
CID 80820622
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
CID 80730244
1-N-(1-ethylpiperidin-4-yl)-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66093142

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine (CID 80740106) is 3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine is CCN1CCC(N(C)c2cc(N)cc(OC(C)C)c2)CC1.
What is the InChIKey of 3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is XNCKOFLPSGWKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-20-8-6-15(7-9-20)19(4)16-10-14(18)11-17(12-16)21-13(2)3/h10-13,15H,5-9,18H2,1-4H3.
What are the key properties of 3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-ethylpiperidin-4-yl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80740106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).