5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine

C14H28N2 — CID 83990284

IUPAC5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine
SMILESCCNC1CC(CC2CC2)CN(C(C)C)C1
InChIInChI=1S/C14H28N2/c1-4-15-14-8-13(7-12-5-6-12)9-16(10-14)11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyATNPUKSGEOKCKW-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds5

About 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine

5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine (PubChem CID 83990284) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine
PubChem CID83990284
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine
SMILESCCNC1CC(CC2CC2)CN(C(C)C)C1
InChIInChI=1S/C14H28N2/c1-4-15-14-8-13(7-12-5-6-12)9-16(10-14)11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyATNPUKSGEOKCKW-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine (CID 83990284) is 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine is CCNC1CC(CC2CC2)CN(C(C)C)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine?
The InChIKey is ATNPUKSGEOKCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-15-14-8-13(7-12-5-6-12)9-16(10-14)11(2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine?
5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83990284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).