2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine

C14H29N3 — CID 55141477

IUPAC2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H29N3/c1-13(10-15)11-17-8-4-14(5-9-17)12-16-6-2-3-7-16/h13-14H,2-12,15H2,1H3
InChIKeyIDKACZGOJLINSY-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.39
Rot. Bonds5

About 2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine

2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine (PubChem CID 55141477) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
PubChem CID55141477
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C14H29N3/c1-13(10-15)11-17-8-4-14(5-9-17)12-16-6-2-3-7-16/h13-14H,2-12,15H2,1H3
InChIKeyIDKACZGOJLINSY-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 113416111
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine
CID 83835140
3-amino-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62668546
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 62996489
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine
CID 62995232
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
N-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 62997408
[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 64867957
1-cyclopentyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanol
CID 104752834
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine (CID 55141477) is 2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine is CC(CN)CN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is IDKACZGOJLINSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-13(10-15)11-17-8-4-14(5-9-17)12-16-6-2-3-7-16/h13-14H,2-12,15H2,1H3.
What are the key properties of 2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine?
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 55141477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).