(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine

C11H22N2 — CID 164658810

IUPAC(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
SMILESC[C@H](N)CNC1CCC12CCCC2
InChIInChI=1S/C11H22N2/c1-9(12)8-13-10-4-7-11(10)5-2-3-6-11/h9-10,13H,2-8,12H2,1H3/t9-,10?/m0/s1
InChIKeyRLOAHFLZTVZRDV-RGURZIINSA-N
MW182.31 g/mol
LogP1.65
Rot. Bonds3

About (2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine

(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine (PubChem CID 164658810) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
PubChem CID164658810
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
SMILESC[C@H](N)CNC1CCC12CCCC2
InChIInChI=1S/C11H22N2/c1-9(12)8-13-10-4-7-11(10)5-2-3-6-11/h9-10,13H,2-8,12H2,1H3/t9-,10?/m0/s1
InChIKeyRLOAHFLZTVZRDV-RGURZIINSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102952410
1-N-(2,2-difluorocyclohexyl)propane-1,2-diamine
CID 131014891
1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol
CID 102952417
1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
CID 102951950
4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849
N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine
CID 102952412
N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine
CID 128875139
(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol
CID 131107125
N-(1-cyclopropylethyl)spiro[3.4]octan-3-amine
CID 130611164
N-(2-fluoroethyl)spiro[3.5]nonan-3-amine
CID 130503965

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine (CID 164658810) is (2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine is C[C@H](N)CNC1CCC12CCCC2.
What is the InChIKey of (2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine?
The InChIKey is RLOAHFLZTVZRDV-RGURZIINSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(12)8-13-10-4-7-11(10)5-2-3-6-11/h9-10,13H,2-8,12H2,1H3/t9-,10?/m0/s1.
What are the key properties of (2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine?
(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 164658810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).