2-spiro[3.3]heptan-2-ylethanamine

C9H17N — CID 138040587

IUPAC2-spiro[3.3]heptan-2-ylethanamine
SMILESNCCC1CC2(CCC2)C1
InChIInChI=1S/C9H17N/c10-5-2-8-6-9(7-8)3-1-4-9/h8H,1-7,10H2
InChIKeyYXGZDABODVIKQC-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.92
Rot. Bonds2

About 2-spiro[3.3]heptan-2-ylethanamine

2-spiro[3.3]heptan-2-ylethanamine (PubChem CID 138040587) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-spiro[3.3]heptan-2-ylethanamine.

Molecular Properties

Compound Name2-spiro[3.3]heptan-2-ylethanamine
PubChem CID138040587
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-spiro[3.3]heptan-2-ylethanamine
SMILESNCCC1CC2(CCC2)C1
InChIInChI=1S/C9H17N/c10-5-2-8-6-9(7-8)3-1-4-9/h8H,1-7,10H2
InChIKeyYXGZDABODVIKQC-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cuban-1-ylmethanamine
CID 276346
[1-(2-Methylpropyl)cyclobutyl]methanamine
CID 28064572
1-{Spiro[3.5]nonan-7-yl}methanamine hydrochloride
CID 68708764
Spiro[3.3]heptan-2-ylmethanamine hydrochloride
CID 91647533
3-Cyclobutyl-2,2-dimethylpropan-1-amine
CID 86277120
(1-Cyclobutylcyclobutyl)methanamine hydrochloride
CID 121553109
{Spiro[3.3]heptan-1-yl}methanamine hydrochloride
CID 139026678
1-{Spiro[3.5]nonan-2-yl}methanamine hydrochloride
CID 145874603
{6,6-Dimethylspiro[3.3]heptan-2-yl}methanamine hydrochloride
CID 145915616
1-(Spiro(3.4)octan-2-yl)methanamine hydrochloride
CID 146049987
{Dispiro[3.0.3^{5}.1^{4}]nonan-2-yl}methanamine
CID 146155349
Spiro[3.5]nonan-7-ylmethanamine
CID 50998994

Frequently Asked Questions

What is the IUPAC name of 2-spiro[3.3]heptan-2-ylethanamine?
The IUPAC name of 2-spiro[3.3]heptan-2-ylethanamine (CID 138040587) is 2-spiro[3.3]heptan-2-ylethanamine.
What is the SMILES notation for 2-spiro[3.3]heptan-2-ylethanamine?
The canonical SMILES for 2-spiro[3.3]heptan-2-ylethanamine is NCCC1CC2(CCC2)C1.
What is the InChIKey of 2-spiro[3.3]heptan-2-ylethanamine?
The InChIKey is YXGZDABODVIKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c10-5-2-8-6-9(7-8)3-1-4-9/h8H,1-7,10H2.
What are the key properties of 2-spiro[3.3]heptan-2-ylethanamine?
2-spiro[3.3]heptan-2-ylethanamine has a molecular weight of 139.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[3.3]heptan-2-ylethanamine is sourced from PubChem (CID 138040587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).