N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C15H30N2O — CID 43765303

IUPACN-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCOCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-4-18-13-5-9-16-15-7-11-17(12-8-15)10-6-14(2)3/h6,15-16H,4-5,7-13H2,1-3H3
InChIKeySBJSZYKZRDEXNN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds8

About N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43765303) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43765303
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCOCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-4-18-13-5-9-16-15-7-11-17(12-8-15)10-6-14(2)3/h6,15-16H,4-5,7-13H2,1-3H3
InChIKeySBJSZYKZRDEXNN-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 63828182
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103082726
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
CID 43769519
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43770121
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43770605
N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43770798
N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43770913
N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43771254
1-(3-methylbut-2-enyl)-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 43771390

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43765303) is N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is CCOCCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is SBJSZYKZRDEXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-18-13-5-9-16-15-7-11-17(12-8-15)10-6-14(2)3/h6,15-16H,4-5,7-13H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43765303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).