(4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine

C17H32N2 — CID 103353017

IUPAC(4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine
SMILESCCC1CCN(C2CCC23CCCCC3)C(CN)C1
InChIInChI=1S/C17H32N2/c1-2-14-7-11-19(15(12-14)13-18)16-6-10-17(16)8-4-3-5-9-17/h14-16H,2-13,18H2,1H3
InChIKeyVLZYUQFZHQGCNO-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.55
Rot. Bonds3

About (4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine

(4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine (PubChem CID 103353017) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine
PubChem CID103353017
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine
SMILESCCC1CCN(C2CCC23CCCCC3)C(CN)C1
InChIInChI=1S/C17H32N2/c1-2-14-7-11-19(15(12-14)13-18)16-6-10-17(16)8-4-3-5-9-17/h14-16H,2-13,18H2,1H3
InChIKeyVLZYUQFZHQGCNO-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine?
The IUPAC name of (4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine (CID 103353017) is (4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine.
What is the SMILES notation for (4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine?
The canonical SMILES for (4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine is CCC1CCN(C2CCC23CCCCC3)C(CN)C1.
What is the InChIKey of (4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine?
The InChIKey is VLZYUQFZHQGCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-14-7-11-19(15(12-14)13-18)16-6-10-17(16)8-4-3-5-9-17/h14-16H,2-13,18H2,1H3.
What are the key properties of (4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine?
(4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine has a molecular weight of 264.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1-spiro[3.5]nonan-3-ylpiperidin-2-yl)methanamine is sourced from PubChem (CID 103353017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).