N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine

C15H32N2 — CID 63133103

IUPACN-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
SMILESCCCCN(CC)CC1(CCC)CCCNC1
InChIInChI=1S/C15H32N2/c1-4-7-12-17(6-3)14-15(9-5-2)10-8-11-16-13-15/h16H,4-14H2,1-3H3
InChIKeySOWRAFBPSNZNMG-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds8

About N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine

N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine (PubChem CID 63133103) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
PubChem CID63133103
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
SMILESCCCCN(CC)CC1(CCC)CCCNC1
InChIInChI=1S/C15H32N2/c1-4-7-12-17(6-3)14-15(9-5-2)10-8-11-16-13-15/h16H,4-14H2,1-3H3
InChIKeySOWRAFBPSNZNMG-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
CID 55164523
3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 107870233
N-methyl-N-[(3-propylpiperidin-3-yl)methyl]propan-1-amine
CID 63132958
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
CID 62262847
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133418
N-[(3-ethylpiperidin-3-yl)methyl]-N-propylpropan-1-amine
CID 63133368
N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
CID 79864779
N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine
CID 55164134
N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine
CID 63122896
1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 60852457
N-(2-methylpropyl)-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133310
N-[[1-[[butyl(ethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 63483056

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine (CID 63133103) is N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine is CCCCN(CC)CC1(CCC)CCCNC1.
What is the InChIKey of N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine?
The InChIKey is SOWRAFBPSNZNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-7-12-17(6-3)14-15(9-5-2)10-8-11-16-13-15/h16H,4-14H2,1-3H3.
What are the key properties of N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine?
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 63133103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).