4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine

C16H29N3O — CID 43526239

IUPAC4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(CN)(N(C)Cc2ccc(C)o2)CC1
InChIInChI=1S/C16H29N3O/c1-4-9-19-10-7-16(13-17,8-11-19)18(3)12-15-6-5-14(2)20-15/h5-6H,4,7-13,17H2,1-3H3
InChIKeyWJNCTVVMAOZZBF-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.22
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine

4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine (PubChem CID 43526239) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine
PubChem CID43526239
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(CN)(N(C)Cc2ccc(C)o2)CC1
InChIInChI=1S/C16H29N3O/c1-4-9-19-10-7-16(13-17,8-11-19)18(3)12-15-6-5-14(2)20-15/h5-6H,4,7-13,17H2,1-3H3
InChIKeyWJNCTVVMAOZZBF-UHFFFAOYSA-N
XLogP2.22
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65078163
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine
CID 28798824
1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine
CID 65088167
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
1-(aminomethyl)-3-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutan-1-amine
CID 106821779
3-(aminomethyl)-N,N-dimethyl-1-propylpyrrolidin-3-amine
CID 117012434
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
CID 65078460
4-(aminomethyl)-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 61411927
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 79850413
4-(aminomethyl)-N-ethyl-1-propyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 61450858
3-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855936

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine (CID 43526239) is 4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine is CCCN1CCC(CN)(N(C)Cc2ccc(C)o2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine?
The InChIKey is WJNCTVVMAOZZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-9-19-10-7-16(13-17,8-11-19)18(3)12-15-6-5-14(2)20-15/h5-6H,4,7-13,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine?
4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 43526239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).