(1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine

C15H28N2 — CID 163983597

IUPAC(1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine
SMILESCC[C@H]1C[C@](C)(N)C2CCC3C[C@@H]([C@H]3C)C21N
InChIInChI=1S/C15H28N2/c1-4-11-8-14(3,16)13-6-5-10-7-12(9(10)2)15(11,13)17/h9-13H,4-8,16-17H2,1-3H3/t9-,10?,11-,12-,13?,14-,15?/m0/s1
InChIKeyTUJSVHJSKXEEGW-YKFQJFHUSA-N
MW236.40 g/mol
LogP2.51
Rot. Bonds1

About (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine

(1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine (PubChem CID 163983597) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine.

Molecular Properties

Compound Name(1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine
PubChem CID163983597
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine
SMILESCC[C@H]1C[C@](C)(N)C2CCC3C[C@@H]([C@H]3C)C21N
InChIInChI=1S/C15H28N2/c1-4-11-8-14(3,16)13-6-5-10-7-12(9(10)2)15(11,13)17/h9-13H,4-8,16-17H2,1-3H3/t9-,10?,11-,12-,13?,14-,15?/m0/s1
InChIKeyTUJSVHJSKXEEGW-YKFQJFHUSA-N
XLogP2.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine with MolForge

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Related Compounds

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CID 123842739
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CID 123145636
2-ethylspiro[cyclopropane-1,3'-tricyclo[4.1.0.02,4]heptane]
CID 163933579
2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane
CID 123709133
2,2,7-trimethylbicyclo[2.2.1]heptane
CID 18669850
2,6-diethyl-1-methylbicyclo[3.1.1]heptane
CID 123140222
(1S)-2-ethyl-1,3,4,5-tetramethylcyclohexan-1-amine
CID 91301916
1-amino-2-ethylcyclopropan-1-ol
CID 163837248
(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine?
The IUPAC name of (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine (CID 163983597) is (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine.
What is the SMILES notation for (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine?
The canonical SMILES for (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine is CC[C@H]1C[C@](C)(N)C2CCC3C[C@@H]([C@H]3C)C21N.
What is the InChIKey of (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine?
The InChIKey is TUJSVHJSKXEEGW-YKFQJFHUSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-11-8-14(3,16)13-6-5-10-7-12(9(10)2)15(11,13)17/h9-13H,4-8,16-17H2,1-3H3/t9-,10?,11-,12-,13?,14-,15?/m0/s1.
What are the key properties of (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine?
(1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine has a molecular weight of 236.40 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S,10S)-3-ethyl-5,10-dimethyltricyclo[7.1.1.02,6]undecane-2,5-diamine is sourced from PubChem (CID 163983597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).